•    Responsabile Scientifico: Cescutti Gabriele
•    Dipartimento: Fisica
•    Codice Progetto:  2022X4TM3H_002
•    CUP: J53D23001660001
•    Finaziamento MUR UniTS: 96.000,00 €

Abstract: This proposal exploits the complementary expertises of its participants to focus on the origin of chemical elements with implications for a broad variety of topics in astrophysics. We specifically aim to investigate the neutron capture (nc) elements that are key tools for stellar physics, Galactic archaeology and stellar age determination. Nuclear fusion reactions in stars are responsible for the formation of elements up to nickel (Ni), but heavier elements require n-capture reactions to be synthesised. Neutron accretion can be slow or rapid relative to the neutron decay time, and depends on the neutron flux impacting the Fe atoms. Neutron fluxes can occur either quietly in the evolution of stars of various masses, or explosively in energetic processes, such as neutron star mergers or magnetically driven core collapse supernovae. Both processes are still not completely understood, and many unresolved questions can be addressed by combining new observations within the Milky Way, and benefiting from the next generation instrumentation and modelling techniques.
Here, we propose to address these open questions with a multidisciplinary approach: by exploiting the available data of the large spectroscopic survey Gaia-ESO that provides abundances from high resolution stellar spectra of the metal-rich populations of the Galaxy; these data will be complemented by those of the MINCE survey, reaching intermediate-to-low metallicity ([Fe/H] between -1.5 and -2.5), and by the new WEAVE data, going down reaching stars of metallicity as low as [Fe/H] =-4.5. Then, we will use our expertise in modelling chemical evolution of the Galaxy for interpreting observational data, employing innovative galactic chemical evolution (GCE) models such as a stochastic one to interpret at best the Galactic halo components and a two-dimensional GCE model to interpret the evolution of the Galactic disc components,including the metal-weak thick-disc (Carollo et al. 2019).
The comparison of models and observations will allow us to investigate some key issues, such as the role of magnetic fields in the evolution of low-mass stars and their associated enrichment, and the contribution played by mergers of neutron stars and supernovae in the production of nc-elements. Moreover, our study will be of fundamental importance in understanding the methods for measuring stellar ages by using abundance ratios.
Finally, we propose a preparatory work, based on technical and scientific aspects, to provide a concept study for a newly-designed, multi-object, high-resolution and high-efficiency spectrometer, for the ESO Very Large Telescope. This instrumentis one of the most requested by the astronomical community, and will fill the gap that new surveys at medium resolution (e.g.,WEAVE, 4MOST) cannot cover, providing abundances for a full range of nc elements, and pushing its spectral range towards the blue range, where the absorption lines of such elements are dominant.

•    Responsabile Scientifico: Nenzi Laura
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  20228FT78M_002
•    CUP: J53D23007050001
•    Finaziamento MUR UniTS: 105.000,00 €

Abstract: Emerging domains such as disabled people and agriculture supply require ethics-based cyber-physical systems (CPS), i.e., intelligent robotics systems that interact with the physical world, while taking into account societal responsibilities. To cope with this complexity, model-based design has long been advocated as a prominent approach for their rigorous development. However, the state of the art does not adequately account for two major issues: software modularity, to capture the heterogeneity of CPS devices; and uncertainty, e.g., to express lack of knowledge about the environment, the accuracy of the model, or errors occurring when sensing the real world. Our goal is to develop modelling and analysis techniques for ethics-based CPS making software modularity as a first-class citizen to reduce uncertainties. We envisage a component-based framework where digital and physical components interact to improve daily life of people, and software modularity is aimed to reduce uncertainty by means of probabilistically distributed activities showing accuracy and overhead trade-offs. We devise a system to specify CPS ethics-based requirements, turning them into probabilistic logical specifications that will be at the basis of efficient algorithms for the analysis and verification. We will apply our techniques to real case studies on smart parking for disabled people and agriculture-supportive robots.

•    Responsabile Scientifico: Scrobogna Stefano
•    Dipartimento: Matematica, Informatica e Geoscienze
•    Codice Progetto:  2022HSSYPN_001
•    CUP: J53D23003770001
•    Finaziamento MUR UniTS: 46.872,00 €

Abstract: Turbulence is an ubiquitous phenomenon in nature, and it experienced by everyone daily in a multitude of occasions, from waves braking on a shore to dust settling. Despite such pervasiveness its mathematical interpretation can be described as a "A riddle wrapped in a mystery inside an enigma". Such elusiveness lies in the very structure of the main hydrodynamical models, which are nonlinear equations and, as such, give rise to a very rich and nontrivial dynamics.
Despite such evident limitations there are limited setting in which we can describe turbulent phenomena, or rule out them. These, mostly, can be formalized as result of stability and its negative counterpart, instability, in mathematical jargon.
The main aim of the present research proposal is to provide several new settings describing stable and unstable configurations in incompressible fluid-dynamics, the result that we propose to investigate will be studied using a mix of techniques recently developed in several outstanding scientific publication and new implementations by the members of the research teams, specifically we wish to methodically bridge techniques originally developed in the context of dynamical systems (normal forms, KAM theory, pseudodifferential calculus) to specific practical problems of fluid dynamics, and vice versa, all this will be implemented using sophisticated tools of harmonic and complex analysis such as pseudo- and para-differential calculus and other tools originally developed in the context of nonlinear wave theory. These methods have already being applied successfully in the past 20 years or so, thus experiencing a new renaissance in the classical topic of incompressible fluid dynamics.
Each member participating to the project is under 40 years of age and has a position in an Italian institution. This designs a cooperation among the main members of the research program that spans deeply in the future, generating the potential foundations for developing a school in incompressible fluid dynamics which is indigenous to the Italian University. The proposal is hence conceived in order to jump-start such cooperation and enhance the interactions among the various members of the group.

•    Responsabile Scientifico: Zaccolo Valentina
•    Dipartimento: Fisica
•    Codice Progetto:  2022XAJR4M_002
•    CUP: J53D23001850001
•    Finaziamento MUR UniTS: 76.400,00 €

Abstract: The Large Hadron Collider (LHC) at CERN has allowed us to make forefront measurements in the domain of high-energy physics. One of the major discoveries in the past decades was that of the Quark Gluon Plasma (QGP) formation, a state of matter with energy density and temperatures so high that the quarks, confined into hadrons in normal conditions of temperature and densities, are freed. It is thought that this state of the matter was the one which permeated the first microseconds of the Universe after the Big Bang. At LHC, the QGP is recreated in the laboratory by colliding relativistic heavy ions. Though small, these QGP systems are the instruments to understand the evolution of the universe and the strong nuclear force. After heads-on heavy ion collisions, the temperature and energy density of the system created in the collisions reaches a point where the phase transition between normal nuclear matter and QGP happens, deconfing the quarks. In this phase transition, the chiral symmetry (CS) restoration occurs. Similarly, the phase transition from QGP to normal matter is signaled by CS breaking. To investigate the nature of CS breaking, it is required an observable measurable in the creation of the QGP but also sensitive to the very small timescales of the QGP system (few fm/c). Resonance particles satisfy these conditions quite well: they are short-lived excited particles that have the same quark content as stable ground state particles, but different parity and/or angular momentum. Few experiments have ever shown a measurable effect correlated to CS restoration and they are mostly done by searching for “broadening” of resonances. In this project we will study CS restoration via “parity partners”. Two resonances can have the same quantum numbers but parity. In the vacuum, the negative parity resonance particle usually has higher mass than the positive parity one, leading to the different decay path and production yields for parity partners. In the presence of CS restoration, these differences should disappear. The goal of the CHISYRE project is to search for CS restoration via the characterization and the production yields measurement of two mesonic chiral partners, the K(892)* and the K1(1270). These “parity partners” are characterized by different masses and decay products, and recently it has been proposed that sizable differences in the production yield of these two resonances should appear in heavy-ion collisions. The precise measurements of these two resonances, especially K1, is very challenging due to the relatively large mass and complex decay channels. Nevertheless, with the hardware and software upgrades of the ALICE experiment for Run3 at LHC, and with the significant increase in statistics, we will be able to perform this ambitious measurement in different collision systems, allowing for the first direct test CS restoration in heavy ion collisions.

•    Responsabile Scientifico: Candelise Vieri
•    Dipartimento: Fisica
•    Codice Progetto:  2022NYSEMR_002
•    CUP: J53D23001810006
•    Finaziamento MUR UniTS: 68.400,00 €

Abstract: The PINCH project intends to design a novel approach in the investigation of physics Beyond the Standard Model at the Compact Muon Solenoid (CMS) experiment for the High Luminosity phase of LHC (HL-LHC). The leading thread of the project is the possibility to exploit precise timing information to reconstruct, in the prohibitive environment of multiple interactions of HL-LHC, non conventional signatures usually discarded by standard algorithms. The expectation to observe “exotic” behaviors in LHC data is strongly supported by conceptual and experimental facts that cannot be explained within the Standard Model itself. Directly searching for unusual final states allows us to discover what we do not know yet about Beyond the Standard Model physics. A hot topic are models which predict the existence of long-lived particles which travel inside the detector before decaying to standard particles.
The HL-LHC program is expected to start in 2029, based on a major improvement of the accelerator to increase the instantaneous luminosity by a factor of 10. To cope with the multiple collisions belonging to the same bunch crossing, the CMS collaboration has implemented an upgrade program based on higher detector granularity to reduce single-channel occupancy, improved trigger capabilities and bandwidth for data acquisition, and use of timing information to correctly assign charged tracks and neutrals to the primary collision. The latter upgrade foresees the use of timing from the calorimeters and the installation of specialized detectors dedicated to minimum ionizing particles, equipping, for CMS, the whole solid angle.
The advantages arising from the inclusion of 30-40 ps precision timing in the online selection will be explored, as a unique opportunity to access for the first time signatures with characteristic time structures at CMS. We will further investigate the deployment of particle timing measurement as a key ingredient to enhance analysis capabilities in the harsh environment of HL-LHC. A set of benchmark models will be considered predicting final states with long-lived particles. For a robust assessment of performance, a detailed understanding of the detector time resolution is fundamental. PINCH plans to build a prototype with state-of-the-art timing detectors and study its performance in a test beam complementing it with irradiation studies.
The four-years-long LHC Run 3, starting in 2022, offers a unique opportunity to prepare the ground for this project, thanks to the lower instantaneous luminosity compared to the HL-LHC and the possibility to exploit timing information from already existing calorimeters to test novel algorithms and approaches both online and offline. The goal of the project is to demonstrate the relevance of timing detectors in the quest for new physics at colliders. The realization of the project now, a few years before the starting of the HL-LHC, will timely boost the scientific potential of data analysis at LHC.

•    Responsabile Scientifico: Egidi Leonardo
•    Dipartimento: Scienze Economiche, Aziendali, Matematiche e Statistiche
•    Codice Progetto:  2022R74PLE_001
•    CUP: J53D23003860006
•    Finaziamento MUR UniTS: 66.233,00 €

Abstract: Statistical models and applications in professional and amateur contexts, with able-bodied and disabled athletes.

•    Responsabile Scientifico: Trovato Agata
•    Dipartimento: Fisica
•    Codice Progetto:  202275HT58_001
•    CUP: J53D23001550006
•    Finaziamento MUR UniTS: 62.286,00 €

Abstract: The unmodeled gravitational waveform reconstructions are complementary to the matched-filter reconstructions, and they are currently used to validate the reconstructions based on Bayesian parameter estimation (PE) and detect deviations from the relativistic models of compact binary coalescences, thus providing useful tests of General Relativity (GR) and a means to bring out other interesting non-standard features of the detected waveforms like the presence of gravitational microlensing. 
However, although the unmodeled reconstructions mostly match the PE reconstructions to a high degree of accuracy, being unmodeled they do not return model parameters but only a large set of phenomenological parameters that are not trivially connected with the physical features of the gravitational wave (GW) source. 
A postprocessing of the unmodeled reconstruction of a waveform produced by a compact binary coalescence (CBC) returns the chirp mass of the coalescing system, but other physical quantities remain hidden. The purpose of the current project is twofold: 1. Increase the robustness and reliability of unmodeled waveform reconstruction; 2. extract additional information on the observed CBCs exploiting the unmodeled waveform. 
To pursue 1. we shall extend our current tools, improving both the unmodeled waveform reconstruction algorithms of the unmodeled “coherent WaveBurst” pipeline (cWB) and the statistical methods to assess consistency with waveform posterior samples resulting from Bayesian PE. This will enable a data-driven model selection. For 2. we shall exploit the vast information in the PE posterior distributions obtained from Bayesian PE by resorting to the latest techniques of model discovery with machine learning (ML) methods. In case of success, we shall be able to report other physical parameters in addition to the chirp mass, such as being able to distinguish between elliptical binaries and precessing binaries, and -- exploiting the high computational efficiency of unmodeled reconstructions -- we shall be able provide prompt input to the Bayesian PE pipelines and thereby accelerate them.

•    Responsabile Scientifico: Seriani Stefano
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  2022LP4ASR_001
•    CUP: J53D23007120001
•    Finaziamento MUR UniTS: 75.680,00 €

Abstract: Forest navigation with autonomous systems is a topic which has seen a rapid increase in interest recently. While it appears natural to humans, being able to reach a target can prove difficult or impossible to a mobile robot because of the issues related to the nature of the environment. In this work we propose an approach to control a robot in a forest environment; the method employs an Artificial Neural Network (ANN) that is trained with the NeuroEvolution of Augmented Topologies (NEAT) method and Genetic Programming (GP). Models for the kinematics, perception, and cognition of the robot are studied. In particular, perception is based on a raycasting model which is tailored on the ANN. An in-depth analysis of a number of parameters of the environment and the robot is performed and a comparative analysis is carried out.

•    Responsabile Scientifico: Costanzi Alunno Cerbolini Matteo
•    Dipartimento: Fisica
•    Codice Progetto:  2022KCS97B_001
•    CUP: J53D23001620006
•    Finaziamento MUR UniTS: 125.644,00 €

Abstract: Galaxy clusters are one of the main cosmological probes of the next coming wide field photometric surveys, such as Euclid or LSST, with the promise of helping shedding light on many fundamental questions in cosmology such as the nature of dark matter and dark energy.
Yet, despite the huge progress made over the last decade, a sizable amount of the cosmological information encoded in this data risks to remain unexploited due to our limited capability of connecting the observed properties of the large scale structure to our theoretical models.
Photometric cluster catalogs exemplify this limitation: different sources of systematics hamper our capability of calibrating cluster masses from observable mass proxies, and thus, of interpreting the data within our theoretical framework. This is especially true for low to intermediate mass systems (13.5≲log(M)≲14.5): these objects outnumber by orders of magnitudes the number of massive clusters in photometric cluster catalogs, but the low signal-to-noise (S/N) of these detections makes these systems especially prone to systematics which hinder their cosmological utility.
Our team has a long track record in developing models and analysis tools for cluster cosmology studies. In particular, we played a key role in the development of the field by leading the analyses of state-of-the-art photometric cluster catalogs, such as redMaPPer SDSS and DES Y1, where some of these systematics were firstly identified and studied.
The EMC2 proposal aims at unlocking the full cosmological utility of the forthcoming Euclid cluster catalog by a careful characterization of the sample over the whole mass range probed by the survey with particular emphasis on the poorly understood low S/N detections which limit the statistical power of ongoing and future photometric cluster surveys.
We plan to achieve our goal by pursuing three main lines of investigation:
1) the optimization of the cluster finder algorithms and mass proxy definition used to build the cosmological sample;
2) the development of a model to accurately describe the relation between the photometric mass proxies and underlying halo mass over the whole mass range probed by the survey;
3) the development of a methodology to optimally exploit the sparse cluster member galaxies’ spectroscopic data that will be available from the Euclid survey for cluster mass calibration.
Our team is in a privileged position to carry out such a proposal thanks to i) the leading roles held by its members in the Euclid Consortium and other international collaborations such as DES and GOGREEN, ii) the access to state-of-the art proprietary data and simulations.
The timing of the proposal perfectly matches the timescale of the Euclid mission (launch in mid-2023), and its results will set the necessary tools for the analysis of all the forthcoming galaxy cluster surveys from the next generation of observational facilities (e.g. DESI, eROSITA, LSST, CMB-S4).

•    Responsabile Scientifico: Trevisan Martino
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  2022M2Z728_002
•    CUP: J53D23000790001
•    Finaziamento MUR UniTS: 99.863,00 €

Abstract: The COMPACT project aims at creating a new set of tools and methodologies for decreasingthe resource complexity and costs associated with traffic analysis. The key observation isthat modern traffic analysis systems are generally based on a feature-based representationof traffic, rather than on the raw packet-based representation. According to this approach,statistical features are extracted from the captured traffic and passed as input to machinelearning algorithms trained for the specific analysis task to accomplish.

•    Responsabile Scientifico: Nobile Enrico
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  2022PSPA8R_004
•    CUP: J53D23002390006
•    Finaziamento MUR UniTS: 26.560,00 €

Abstract: The demand of fresh water is constantly growing worldwide. So far, this need is satisfied through high exergy-inputs, driven by electricity or high-temperature source. The development of innovative low-exergy solutions is then urgent. By a holistic approach, the WATERY project intends to develop and validate at lab-scale (TRL4) a thermally-driven sorption process to provide desalinated water using low-grade heat sources (<60°C).
The activity will comprise: detailed sorption modelling (PoliTo), materials and sorption components design and testing (CNR-ITAE), heat transfer fluid performance enhancement (CNR-ITC), numerical model of phase change processes (UniTs) and experimental testing of high-performance super-hydrophobic condensing surfaces (UniPd).

•    Responsabile Scientifico: Morgante Alberto
•    Dipartimento: Fisica
•    Codice Progetto:  20224PJT7C_002
•    CUP: J53D23001360006
•    Finaziamento MUR UniTS: 49.800,00 €

Abstract: The transition to renewable energy sources is one of the most pressing challenges of our era and is a mandatory step for curbing climate change and for lifting the dependency from fossil fuels. Solar cell technologies have seen substantial improvements over the last decades, and the global installed solar energy capacity is rapidly growing, suggesting that photovoltaics will hold a significant share in the production of electricity in the near future. The market of solar cells is currently dominated by silicon-based devices, in which it is estimated that more than 30% of the available solar power is lost in the thermalization of the hot excitons generated by the absorption of high-energy photons. Therefore, great efforts are put into developing strategies to mitigate such losses and to design devices with increased efficiency. One of the most extensively examined approaches for this aim is down-conversion, which relies on the ability of certain materials to generate two, or more, low-energy excitons from the absorption of a single high-energy photon, thus potentially duplicating the charge carriers available for photocurrent generation. Few organic compounds, such as polyacenes and diradicaloids, have down-conversion capabilities through singlet fission, but the realization of efficient devices based on these materials calls for further fundamental requirements. In particular, the triplet excitons should be mobile enough to reach the active interface, and their separation and transfer should be favored over singlet exciton transfer by a proper energy level alignment, to take full advantage of the charge multiplication process.
In this project we aim at studying the exciton transfer dynamics of singlet fission chromophores, as polyacenes, diradicaloids and their derivatives, in prototypical donor/acceptor junctions that represent the core of organic photovoltaic devices. Besides higher sustainability and versatility if compared to inorganic semiconductors, molecular precursors offer a higher degree of opportunities for modifying the electronic properties of the material via chemical engineering, which results in unique pathways for enhancing charge transfer and carrier mobility. We plan to study novel materials to find the most promising combinations for future photovoltaic devices, in particular by monitoring the exciton dynamics via time-resolved optical and photoemission spectroscopies.
These techniques will be used to quantify singlet fission and charge transfer rates, while a close collaboration between spectroscopy and synthesis units will allow us to punctually tailor the molecular properties for optimizing the junction performance based on such results. Our research will contribute to advance the knowledge on charge multiplication in organic interfaces and will ultimately provide useful instructions for the development of down-conversion solar cells.

•    Responsabile Scientifico: Fonda Alessandro
•    Dipartimento: Matematica, Informatica e Geoscienze
•    Codice Progetto:  2022ZXZTN2_004
•    CUP: J53D23003910006
•    Finaziamento MUR UniTS: 10.123,00 €

Abstract: The main aim of the present research project is to investigate nonlinear differential problems studied by means of the Calculus of Variations, Topological Methods, and Set-Valued Analysis to obtain general laws which guarantee the existence or the multiplicity of the solutions. In some cases, the existence and localization of periodic solutions or the qualitative properties of the solutions such as their asymptotic behavior will be given. One of the principal tools used is the calculus of variation, in particular an appropriate combination of the mountain pass theorem with local minimum theorems will be applied. Other used methods are of topological type, as the Poincaré-Birkhoff Theorem, the Leray-Schauder degree or the Leray fixed point index as well as the upper lower solutions method. The set-valued analysis is applied for example for the study of implicit differential equations or for equations with discontinuous nonlinearities. Mainly, the whole project tries to offer new knowledge in order to determine innovative aspects on Differential Problems not yet detected in the literature. Just to give an example among the many possible ones, we point out that the study of variational methods in the context of locally Lipschitz continuous functional not necessarily of class C ^ 1 can led to totally new results even for differentiable functionals and, consequently, also to differential problems. In general, nonlinear ordinary differential equations with different types of boundary values and nonlinear elliptic differential equations with appropriate boundary conditions will be studied with the aim to obtain the existence of one, two, three, infinitely many solutions. Elliptic operators with variable exponent, or fractional type operators as well as the discrete or impulsive cases will also be investigated. Furthermore, problems in unbounded domains and with critical growth will also be considered by using a novel condition of weak Palais-Smale type. Finally, some real phenomena coming from Economics, Industrial Processes, Engineering Structures, Chemical Distributions, will be tackled. As a way of example, the study of equilibrium problems in economics by using variational inequalities will be approached; the analysis of the dynamical performance of a class of power converters will be investigated. Other applications will deal with the motion of cell densities under chemotaxis effect, as well as the study of nonlinear oscillations in the construction of complex structures as long-span suspension bridges and very high buildings for which the resonance phenomena have a great impact.

•    Responsabile Scientifico: Armenio Vincenzo 
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  20227AMAYL_001
•    CUP: J53D23001950006
•    Finaziamento MUR UniTS: 103.400,00 €

Abstract: The present project (ACDC) is a multi-task hydro-acoustic project with immediate potential applications for diagnostics of rotating hydraulic machines, like pumps, turbines, as well as for ship propellers. The project is here focused on pumps for the high relevance of hydro-acoustics in the control of pumping systems.
A pump operating in a network may work far from the Best Efficiency Point (BEP) and new diagnostics is necessary to evaluate whether the pump is properly working. A typical effect of off-design conditions is cavitation, which produces a significant decrease in the pump performance and efficiency and a substantial increase of noise. Detection of the inception of cavitation is crucial to prevent hard working conditions for the machine and it may be dealt with by analyzing the noise production. Hence, the main objective of the present project is the characterization of cavitation noise at an early stage, to be used for the evaluation of the sustainability of pump operating conditions.
ACDC will be developed as follows: 1) development of  novel mathematical models for cavitation in liquids and for acoustics in internal flows; 2) Implementation of models of item 1 in open-source computational fluid dynamics (CFD) tools suited for the analysis of the flow in pumps and application of computational hydroacoustic methods for the analysis of the noise spectrum; 3) analysis of a real pump using the computational methods developed in the previous task; 4) setup of a diagnostic model and design of a noise box for detection of incipient cavitation in a pump. 
The project will be carried out by two Research Units who have outstanding experience, from one side, in mathematical modeling of cavitation and noise generation and propagation in liquids and, by the other side, in industrial design and experimental qualification of pumps and pumping systems.

•    Responsabile Scientifico: Fontolan Giorgio
•    Dipartimento: Matematica, Informatica e Geoscienze
•    Codice Progetto:  2022P9N4EA_001
•    CUP: J53D23002830006
•    Finaziamento MUR UniTS: 44.800,00 €

Abstract: Sardinia's western coast is the only one in Italy, as well as along the Mediterranean coasts of Europe, to have developed transgressive dune systems, some of which are still active. There are almost no studies on them, and their current and past conditions are unknown. Owing to their migrating nature, these dunefields provide the opportunity to learn more about the scientific aspects of aeolian transport and beach-dune feedback dynamics in a transgressive domain. The project will be carried out in close collaboration between four RUs, who will combine their specific know-how and skills to optimize various data collection and elaboration techniques and approaches. The project would fill the knowledge gap on Sardinian dunefields by mapping active and inactive lanFisicaorms using the available remote sensing data, thus creating a geodatabase to make available as WebGis. A comprehensive study will be carried out on the two major sites with active aeolian dynamics (Piscinas and Pistis-Torre dei Corsari), with the goal of determining their geomorphological characteristics, assessing the magnitude and dynamics of wind transport, and understanding the beach-dune sedimentary feedback. An investigation will be conducted in the shelf area in front of the transgressive dunefields to reconstruct late Quaternary paleogeography and the progressive evolution of dune systems during post-LGM sea level rise. Investigation will include specific morpho-bathymetric and seismo-stratigraphic surveys, detailed side scan sonar surveys, and direct scuba morphological surveys (up to -30 m) to explore the structure of the shoreface and the presence of possible relict landforms. To obtain a sea-land continuum, direct geological surveys will be done along the coast, describing stratigraphic sequences of the cliff and the Quaternary outcrops inside and around the transgressive areas. A very high-frequency GPR will be used to investigate the dunes' stratigraphic architecture. The reconstruction of the dune morphology will be obtained using a UAV integrated with a Lidar sensor. Surveys will be repeated in the more mobile areas after a significant time lapse (ca. 10–12 months) in order to assess migration rates and sand volume changes. The sedimentary dynamics and aeolian transport will be detected through aeolian experiments using traditional Leatherman traps and an integrated array of engineered new traps connected to anemometers. The project aims to make a significant scientific contribution in areas such as transgressive dunefield morphodynamics, climate change adaptation of coastal sedimentary systems, and Quaternary paleogeography, as well as improve the integration of different methodological approaches to better investigate the dynamic interface between land and sea. The expected outcomes will include a significant contribution to the knowledge base of the study sites as well as data that will aid in their conservation and management.

•    Responsabile Scientifico: Benatti Fabio
•    Dipartimento: Fisica
•    Codice Progetto:  2022SW3RPY_003
•    CUP: J53D23001840006
•    Finaziamento MUR UniTS: 67.985,00 €

Abstract: Promising developments emerged recently at the interface between quantum information processing (QIP) and machine learning (ML). The relations between QIP and ML naturally go both ways: on the one hand, machine learning algorithms find applications in reconstructing, predicting, and controlling the behaviour of quantum systems. On the other hand, quantum computation devices promise to enhance the performances of ML algorithms for solving problems beyond the reach of classical approaches. In QIP, a key role is played by quantum channels, namely completely positive and trace preserving (CPTP) maps that describe transformations of quantum states allowed by the fundamental underlying physics and are necessary tools to interpret real world experiments.
The role of ML for quantum channel detection, reconstruction, and discrimination is at the present largely unexplored. Unlike standard unitary quantum dynamics, general quantum channels take into account the presence of irreversible effects such as dissipation and noise, which may be of either classical or quantum origin, and may exhibit time-correlations. The use of ML techniques promises to significantly improve the way in which quantum channels are characterized and designed.
The purpose of this project is to address the issue of learning about quantum channels, as well as the issue of learning through quantum channels. These aims will be pursued on the one hand by applying classical ML techniques to enhance the performances of quantum information and communication protocols in the presence of classical and quantum noise and, on the other hand, by extending machine learning techniques to the quantum setting with particular focus on quantum inductive inference techniques and quantum neural networks (QNN). On one hand, the characterization of quantum channels is important to understand how the dissipative and mixing enhancing effects they describe actually affect the fragile correlations that make a quantum state useful for information processing. On the other hand, carefully-engineered dissipation can actually aid quantum channels to perform QIP tasks. Indeed, by means of measurements and feedback processes and controlled interactions with the environments, it is in principle possible to perform quantum computation and potentially develop a full-fledged quantum version of the classical neural network learning strategies.
The project will address three main research directions: ML of non-unitary and time-varying quantum state transformations, efficient methods for quantum inference and dissipative QNN. The project is highly innovative in the national landscape and will be theoretical in nature though with important implications for the development of quantum technologies.

•    Responsabile Scientifico: Alessio Enzo
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  2022C8CTSK_003
•    CUP: J53D23002080006
•    Finaziamento MUR UniTS: 63.402,00 €

Abstract: Ammonia as a C-free source of H2 is attracting increasing attention. Ru-based catalysts are considered the best choice for an efficient NH3 decomposition. This project, with a strongly interdisciplinary approach, will investigate the unprecedented use of mechanochemistry for the preparation of Ru loaded CeO2-based catalyst formulations starting from different Ru coordination/organometallic compounds –rather than the metal powder or simple commercial salts/oxides – and high surface area ceria as support carrier to be tested as catalysts for ammonia decomposition reaction. The overall efficiency of the above catalysts will be compared with benchmark catalysts prepared by conventional impregnation techniques. We will systematically explore the effect of milling parameter/conditions and the composition of ruthenium compounds (Ru oxidation state, charge, presence of different counterions and ligands, nuclearity) on the overall performance of Ru-CeO2 catalysts. Selected catalysts will be used to carry out a detailed kinetic study for a better understanding of the relation between reaction kinetics, mechanism and catalyst surface features.
Experimental activities will include the synthesis and characterization of self-consistent series of Ru-based coordination/organometallic compounds (UniTs), the catalyst preparation by dry milling (UniUd) followed by a complete activity and kinetic analysis (PoliMi). The best performing materials will be fully characterized and will be selected for testing under more technologically relevant conditions.

•    Responsabile Scientifico: Stener Mauro
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  20228KYLZB_002
•    CUP: J53D23007440006
•    Finaziamento MUR UniTS: 97.812,00 €

Abstract: Monolayer- (or ligand-) protected metal nanoclusters (MPC) constitute an emerging class of atomically precise nanomaterials that provide enormous opportunities for both fundamental investigations and breakthrough technological applications in optics, sensing and catalysis, offering well-defined stoichiometry and structures as models and unique realization of metal nanoparticles in realistic environments. However, realizing their promises is presently hindered as a critical issue by the lack of predictive computational tools for dynamics and response. In this field, the CNR and UNITS Italian public-research-center/public-university collaborators have previously pioneered novel methods approaching chemical accuracy in structural modeling, optical spectroscopy and analysis, which have been successfully employed to understand, and rationally design, novel chiro-optical plasmonic systems. Within the ChiroOptics & Catalysis of Atomically Precise Metal NanoClusters (COCAP) project, CNR and UNITS proposers plan to progress to a higher level by developing advanced methods solving the critical issues in the field, so achieving a much needed computationally feasible and quantitatively accurate prediction of the dynamics and response of large MPC systems. Our new methods will be able to describe the complex chemical bonding at the metal/sulfur interface, to achieve efficient configurational sampling of the “floppy” conformational motions of the ligands, and to accelerate by at least an order of magnitude the simulation of chiro-optical response. Overcoming thus the major issues in the description of chiro-optics and energetics/catalysis, this will enable us to model predictively chemical reactions at the interface, the relative stability of MPC species as a function of environmental conditions, as well as plasmonic MPC containing thousands of atoms or to perform high-throughput chiro-optical screening of medium-sized systems. These tools will open the way to breakthroughs in two of the most appealing frontiers of metal nanoclusters and nanoparticles: chirality & catalysis, both with a potentially huge scientific and societal impact in the development of active and especially selective catalytic materials as well as chiral drugs and biosensors (control of chirality would enhance by orders of magnitude sensitivity in measuring chemical conditions inside living cells via detection of biomolecules by chiral fluorescence), thus contributing to the thematic areas of Green and Sustainable Chemistry and Health. The developed methods and codes will be tested in exploratory applications, and their results will be shared within our network of EU experimental collaborators for cross-validation and system optimization. Additionally, the codes will be shared with the academic community in open-source repositories, as well as provided to our collaborators in European commercial software providers, thus strengthening our EU links for future proposals and exchanges.

•    Responsabile Scientifico: Milani Barbara
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  2022PC7AKH_002
•    CUP: J53D23008770006
•    Finaziamento MUR UniTS: 81.465,00 €

Abstract: Industrial organic chemistry largely relies on coordination catalysis. The advent of a circular economy is not changing this fact, but is likely calling for adaptations such as the introduction of novel catalysts better suited to renewable substrates and sustainable products.
Coordination polymerizations are a typical case. The field is dominated by two polyolefins, namely polyethylenes (PE) and polypropylenes (PP), with outstanding application properties. Among the few drawbacks, one is the difficulty to introduce polar functionalities into the nonpolar PE and PP backbones. The reason is that the best catalysts for PE and PP production are based on early transition metals, which are too oxophilic to tolerate exposure to polar (co)monomers. Late transition metal catalysts, in turn, are more tolerant to heteroatoms, but yield polymers with poor application performance; moreover, they are expensive, and some are potentially toxic. In between these two options, the landscape is almost deserted; the present project aims to fill the gap by exploring the scope of Fe based catalysts.
Fe is a ubiquitous, low-cost, nontoxic and environmentally friendly element with moderate oxophilicity. Some Fe complexes are known to be catalytically active in coordination polymerizations of ethene and propene. Trigonal bipyramidal Fe(II) complexes with bis(imino)pyridine ligands have raised the greatest attention: upon proper activation, catalysts with exceptionally high activities in the homopolymerization of ethene to linear PE, and moderate activity in the homopolymerization of propene to weakly isotactic PP were obtained. On the other hand, the catalysts turned out to deactivate rapidly at practical temperatures, and hardly incorporated higher 1-alkenes. Reactivity with polar (co)monomers is ill-defined. To the best of our knowledge, High Throughput Experimentation (HTE) optimizations were never attempted.
The project is a collaboration of two Research Units with complementary skills and expertise: one at the University of Naples Federico II specializes in experimental and computational studies of olefin polymerizations and operates a large HTE infrastructure; the other, at the University of Trieste, has a long-standing tradition in the synthesis and metalation of various classes of N-ligands. In extreme synthesis, the work plan is to elaborate on Fe catalysts with a variety of N-donor ligands (e.g. bis(imino)pyridines, bis(aryl)acenaphthene alfa-diimines, pyridylimines) and coordination geometries (4-, 5-, 6-coordinate) with powerful HTE instruments. The polymerization ability in ethene and propene homopolymerizations and copolymerizations with nonpolar and polar comonomers will be thoroughly explored, and the resulting large databases of Quantitative Structure-Properties Relationship (QSPR) will be utilized to optimize the catalysts under guidance of Artificial-Intelligence-aided statistical models with predictive ability.

•    Responsabile Scientifico: Geremia Silvano
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  20227YNHEB_001
•    CUP: J53D23008560006
•    Finaziamento MUR UniTS: 131.493,00 €  

Abstract: The "Flexible molecular crystals with embedded permanent electrical fields (FLEXPOLE)" project is a highly innovative research project that aims at growing and characterizing mechanically flexible organic crystals having embedded permanent electric dipoles.
The ultimate goal of FLEXPOLE is to develop enabling crystallization technologies for the discovery of new polymorphic phases of flexible molecular crystals characterized by an embedded electrical dipole, so to provide easy and fast access to technologically important applications such as piezoelectricity, pyroelectricity, thermoelectricity, photovoltaic effects, nonlinear optical effects. The coupling of these mechanical and electrical properties in flexible polar crystals is i) currently little investigated by the scientific community, ii) fundamental for the advanced engineering of electronic devices, and iii) pivotal to meet current societal challenges related to information technology and renewable energy production. The production of such material appears to be extremely challenging since both the polar symmetry and the crystal elasticity are rarely found together in the same material.
The proposed research activity is dedicated to the development of crystallization techniques for small organic molecules aimed at exploring the formation of polymorphs alternative to known crystal phases of the model molecules. In order to achieve this goal several crystallization techniques will be used, namely high-throughput robotic nano-crystallization, inkjet printing of solutions precursor to the considered crystal, crystallization under electric and/or magnetic fields, epitaxial growth on polar surfaces. The aforementioned techniques will be tested in part or in toto with three different molecular systems, i.e., 4HCB (an aromatic molecule which can form complementary H-bonds), Glycine (a zwitterionic molecule with can form salt bridge interactions), and Cucurbit[8]uril – trimethine cyanine (a supramolecular host-guest complex which can form polymeric chains). Atomic-level structural characterization of the obtained crystals will be conducted using synchrotron radiation. Ad hoc experimental setups will be devised and built in order to test the crystal at rest and under bending stress, including structural characterization in operando. The characterization of the mechanical, optical, and electric properties of the developed flexible, polar polymorphs will also be conducted.
The team has the right blend of competencies necessary to tackle this project effectively, namely crystallography (also with a specialization in synchrotron radiation-based characterization), crystal engineering, supramolecular chemistry, and materials science and the project has precise training objectives for Ph.D. students and postdoctoral fellows. Finally, the FLEXPOLE project is compliant with the DNSH (Do Not Significant Harm) principle and with the general Technological Sustainability approach.

•    Responsabile Scientifico: Arfelli Fulvia
•    Dipartimento: Fisica
•    Codice Progetto:  20227N9LW7_004
•    CUP: J53D23000610006
•    Finaziamento MUR UniTS: 50.804,00 €

Abstract: Time-resolved ultrafast phenomena with radiation from hard-X to gamma-rays are one of the groundbreaking research fields at the base of scientific and medical applications like pump-and-probe spectroscopy and Time-of-Flight Positron Emission Tomography.
Research on and studies of are continually urged by increasingly detectors new acquisition techniques stringent requirements; this has motivated to present an innovative fully-digital 3D (x-y-time) imager for gamma and hard-X rays beyond the state-of-the-art.
From a detector point of view, the aspects that it is necessary to improve are the time resolution, the spatial resolution, which in most solutions is limited by the multipixel approach, and the quantum efficiency, which is very poor for silicon-based detectors in the case of hard-X rays and null for gamma photons. Considering the acquisition systems, the multichannel approach adopted by modern applications and the reduction of the power budget moves the read-out electronics from the classical voltage-mode approach, which consists in acquiring the complete waveform and performing digital processing in z-domain, into time-base acquisition where the relevant information is the time instant at which an event takes place.
Concerning the , we will exploit Separate Absorption and Multiplication regions Avalanche hard-X rays PhotoDiode (SAM-APD) based on III-V semiconductors. In particular, GaAs-based materials feature a higher atomic number and mobility thus are much more efficient and faster with respect to silicon in absorbing hard-X rays. Spatial and temporal resolutions less than 100 μm and 10 ps will be attained by capacitive coupling of a large area (some mm of diameter) GaAs SAM-APD to two Cross Delay-Lines (CDLs) connected to high-precision Time-To-Digital-Converter (TDC) . For the gamma-rays, the same bundle can be employed by gluing a matrix of 0.5 x 0.5 mm fast scintillator crystals on the GaAs SAM-APD with, for sure, some adaption in its structure. In this way, both spatial (500 μm) and temporal (200 ps) resolutions will be limited by the geometry and the jitter of the crystal.
This is a powerful alternative to pixelation both from a technological and processing point of view. In fact, no aggressive lithography and only four channels, instead of one-per-pixel, are needed.
The project involves five units, “Politecnico of Milano” (PoliMI) for the electronics, “Università di Udine” (UniUD) for the modeling and device design, “Consiglio Nazionale delle Ricerche-Istituto Officina dei Materiali” (CNR-IOM) for fabrication. Tests will be carried out by “Università di Trieste” (UniTS) and the “Istituto Nazionale di Fisica Nucleare” (INFN) section of Trieste. “Elettra Sincrotrone Trieste SCpA” (Elettra) is enrolled as sub-unit.

•    Responsabile Scientifico: Fornasiero Paolo
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  20224P9ABM_001
•    CUP: J53D23008460006
•    Finaziamento MUR UniTS: 81.442,00 €

Abstract: Photocatalysis represents one of the synthetic methodologies that best fits the modern guidelines on sustainability and energy transition. Despite this, the use of photocatalysis at industrial level is still hindered by various technological hurdles. One of the main obstacles is the low efficiency of the actual photocatalytic systems (deriving in part by the lack of deep knowledge of the catalytic mechanism), their high cost and difficult recyclabilty. SYSSY-CAT project will bring together the competences of three research units, with the goal of developing new heterogeneous photocatalysts based on carbon nitride incorporating “single metal catalysts”.  The vision is to present solutions to all the above mentioned problesm, because the materials will be based on abundant element and will be recyclable. Such catalysts will be employed in dual photoredox catalysis for the synthesis oindustrial relevant organic compounds. Moreover, the reaction schemes of the target classes of reaction will attempt to reach a double utility, by coupling energy-related processes (such as the parallel H2 evolution or CO2 fixation) to the organic product synthesis. An important aspect of the project is that it will operate on three levels, whereby the synthesis of the catalysts and their catalytic activity will be flanked by in-depth mechanistic investigation of the structure/activity relationhip, by means advanced and little used techniques such as in situ EPR and state-of-the-art NMR. These will be also supported by advanced electron microscopy and in situ or operando XAS with synchrotron radiation.  The synergy of the three levels of investigation (material development, catalytic activity mechnistic studies) will allow a significant advancement in the knowledge of heterogeneous photocatalytic processes, with possible important implications in industrial sectors such as pharmaceutical industry.

•    Responsabile Scientifico: Gei Massimiliano
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  2022JMSP2J_002
•    CUP: J53D23003790006
•    Finaziamento MUR UniTS: 53.797,00 €

Abstract: ND

•    Responsabile Scientifico: Baraldi Alessandro
•    Dipartimento: Fisica
•    Codice Progetto:  20222FXZ33_002
•    CUP: J53D23001300006
•    Finaziamento MUR UniTS: 65.393,00 €

Abstract: The main objective of this project will be to develop and apply new computational and experimental methods aimed at the search of new energy storage materials with bespoke properties. As application, we have chosen materials for hydrogen storage, both because of the scientific challenges they pose, and because of their great socio-economic benefit potential.
Computational materials science has matured into a field now applied to disciplines including Biology, Earth sciences, Engineering and others. Reliable methods to predict materials properties require use of the basic laws of quantum mechanics. The work-horse of the field is density functional theory (DFT), which is mostly reliable. The crux, however, is the adverb mostly, as there are cases where DFT is not good enough. Unfortunately, these are problems of great scientific and technological interest, e.g. the formation energy of prospective new materials for energy storage applications, which determines their potential for mobile applications. The difficulty here is the requirement for these materials to provide a relatively weak binding energy, which should be in the range 200-400 meV per H2 molecule. Achieving useful absolute accuracy to target this energy range is not generally possible with DFT. As explained in the main proposal, binding hydrogen with an appropriate material would be used to reduce the vapor pressure in a hydrogen tank, in which at present it is simply compressed to 700 bars. High binding energies produce large reductions of the vapor pressure, but then also make it more difficult to get the hydrogen out of the tank, hence the need for a compromise.
For many years, our group has consistently contributed to the development of the quantum Monte Carlo (QMC) method, and shown that the technique is capable of filling the gap of accuracy left by DFT. The QMC method is computationally very heavy, but helped by our success at obtaining access to the largest computers in the world, we are now in a position to deploy this technique for a new exciting protocol: by combining QMC with less expensive methods such as DFT and, crucially, validating them with new experimental techniques to produce surfaces with atomic level definition, we aim to demonstrate that we are able to predict the binding energy of H2 to selected sorbents with useful accuracy for energy storage purposes. The timing of this project coincides with new developments in experimental techniques, particularly the ability to deposit clusters of selected elements formed by a pre-determined number of atoms. The combination of these growing techniques with established x-ray photoelectron spectroscopy methods will allow us to build systems with known and well-defined structures, which can then be simulated using the theoretical methods described above. Established thermal programmed desorption techniques will be used to infer the hydrogen binding energies, which can then be directly compared with the theoretical predictions.

•    Responsabile Scientifico: Pedrizzetti Gianni
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  2022AJT27Y_002
•    CUP: J53D23002030006
•    Finaziamento MUR UniTS: 65.746,00 €

Abstract: Fluid dynamics of the right heart for early detection of disease development

•    Responsabile Scientifico: Tecilla Paolo
•    Dipartimento: Scienze Chimiche e Farmaceutiche 
•    Codice Progetto:  2022285HC5_002
•    CUP: J53D23008410006
•    Finaziamento MUR UniTS: 67.902,00 €

Abstract: SAMBA aims at exploring an innovative class of micrometre-sized theranostic systems able to selectively localise the target bacteria strain, signalling their presence and locally release the antibiotic. The novelty of this approach resides in the size and morphology of carriers employed, which span the nanometer-micrometre range (mesoscale) and on the typologies of ligands used to recognise the different classes of bacteria.

•    Responsabile Scientifico: Pasquato Lucia
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  2022X7H7MN_001
•    CUP: J53D23008840006
•    Finaziamento MUR UniTS: 73.474,00 €  

Abstract: The activities of FUN CODE aim primarily at providing alternative Contrast Agents (CA) for MRI diagnostics which may be suitable to reach and independence from other contries for supplying of raw material and to avoid environmental shortcomings of the present day gadolinium-based MRI.  The strategy we shall base the project activity upon relies on the use of fluorinated nanoparticles CAs for fluorine-based magnetic resonance imaging (19F-MRI), an emerging and potentially alternative technique to classical MRI that allows in-depth in vivo detection with high sensitivity, high spatial resolution and does not require radioactive isotopes.

•    Responsabile Scientifico: Kaspar Jan
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  2022MW3CSK_003
•    CUP: J53D23002290006
•    Finaziamento MUR UniTS: 37.089,00 €

Abstract: The aim of the research is the identification of low-cost, easy to be composed and installed, safe and aesthetically pleasing solutions to improve the building indoor thermal and acoustic quality of disadvantaged contexts where people cannot afford commercial materials. These solutions are panels made of end-of-life household materials (EoLHM), such as clothes and packaging made of cardboard, glass, plastic or metal; indeed, given that EoLHM are cheap and available almost anywhere, they are suitable to become low-cost improvements in thermal and acoustic indoor comfort conditions for people living under the poverty threshold.

•    Responsabile Scientifico: Furlani Stefano
•    Dipartimento: Matematica, Informatica e Geoscienze
•    Codice Progetto:  2022YPZPFM_001
•    CUP: J53D23002920006
•    Finaziamento MUR UniTS: 74.898,00 €

Abstract: The proposal aims to investigate in a space-time perspective the physical interaction between sea and land in the zone of mutual influence, considering the geomorphic response to process interaction, and to elaborate morpho-evolutionary models of coastal cliffs, both above and below the waterline. The project will focus on two rocky-coast areas that are characterized by different geodynamics (i.e subsidence, relative stability or land uplifting), bedrock lithology (i.e. soft terrigenous and hard carbonate rocks), present climate (i.e. tidal condition, wave patterns), and geomorphological setting (i.e. superimposed landforms, slope geometry). The test sites are located in the eastern part of the Gulf of Trieste and along the Adriatic easternmost margin of the central – northern Apennines. They were selected by virtue of the former studies conducted by the project partners.
The proposed research will be organized following these steps:
-acquisition of existing scientific literature, historical data, maps, old images for adding historical data to landscape evolution;
-landward investigations based on field surveys and summarized in thematic maps and geodatabases to collect inland geomorphological data;
-seaward geomorphological investigation of the coastline with a well-tested swim-survey approach to collect observational data and to build 3D models using horizontal time-lapse images in the nearshore zone, and comparison with sea level change models;
-individuation and dating of geomorphological features to be used as markers of coastal evolution and past sea level proxies, for understanding past evolutionary trends and thus establishing morpho-evolutive constraints;
-acquisition of UAV data to build 3D models of the coastal cliffs;
-space-borne radar remote sensing analyses for ground deformation detection to to validate process morphodynamic interpretations;
-DEM-based geomophometrical analysis for performing measures of the signature of specific geomorphic processes
The expected results are:
-integration and critical analyses of the multifaceted approach tested,
-identification of areas with different rates of geomorphic evolution;
-production of morpho-evolutionary models.
This structure takes into account the peculiar skills of each unit involved in the project and conceives the integration of the multifaceted competences. The expected results include the estimation of space-time morpho-evolutionary models of the peculiar geomorphic systems in the land-sea transition zone. The dissemination strategy will be performed by means of explanatory products in order to reach both technical and scientific communities as well as to support management policies and actions by local authorities. A particular attention will be focused to make the new generations aware of the dynamics in coastal areas by means of targeted training courses addressed both for university students and high school students in cooperation with their teachers.

•    Responsabile Scientifico: Federico Stephanie
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  20227K7YJS_002
•    CUP: J53D23008540006
•    Finaziamento MUR UniTS: 67.646,00 €

Abstract: The most widespread oral treatment for amyotrophic lateral sclerosis (ALS) is Riluzole, a drug approved in 1996 by the European Medicines Agency (EMA). Despite the drug is in use for a long time its mechanism of action is still obscure. It was initially believed that Riluzole plays a role in modulating a protein channel involved in ALS progression. Recently, we hypothesized through the use of computational simulations that Riluzole could have a further or different mechanism by inhibiting a protein named CK1δ, a well-characterized protein kinase that plays a crucial role in the ASL etiopathogenesis. We then confirmed in vitro the inhibitory role of Riluzole on CK1δ. In addition, we postulated the link between CK1δ inhibition and the effect of Riluzole in ALS. In particular, TDP-43 (TAR-DNA binding protein-43) is a protein which is more prone to aggregation when phosphorylated by CK1δ, thus it is sequestered from its physiological role in the cell. TDP-43 led to expression of EAAT2 (Excitatory amino acid transporter 2), a transporter that is responsible to transport glutamate from the extracellular side to the intracellular one, thus removing glutamate that is responsible of excitotoxicity in ALS. Thus, we suggest that CK1δ inhibition lead to decrease of extracellular glutamate via TDP-43 and EAAT2. In this project, we are aimed to validate this finding in a ALS model by using flies to test Riluzole and its metabolites. Understanding the molecular basis in the insect model will help us to better elucidate Riluzole mechanism of action and to design novel molecules. Riluzole mitigates the progression of the illness, but unfortunately with only limited improvements. In light of that, this project aims to design more potent molecules targeting CK1δ that mimic the Riluzole but with improved potency that reasonably could have a relevant impact on the field. Computational methods will help to select promising molecules to be synthetized as potential potent CK1δ inhibitors with favorable ADME-Tox (absorption, distribution, metabolism, excretion and toxicity) properties, then, after their synthesis, compounds will be tested in a CK1δ activity assay to select most potent derivatives to be directly investigated in the Drosophila ALS model. Concluding, the expected results from this coordinated interdisciplinary approach are to validate the proposed mechanism of action of Riluzole in ALS and to develop few potent CK1δ inhibitors effective in the ALS model that could represent hit compounds for the development of new therapeutic strategies against ALS.

•    Responsabile Scientifico: Montini Tiziano
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  20228YFRNL_001
•    CUP: J53D23008590006
•    Finaziamento MUR UniTS: 70.114,00 €

Abstract: The NANOARC project targets the synthesis of novel photoelectrocatalytic nano-architectures with composition, dimensionality and morphology controlled at the nanoscale and transferred onto electrodic surfaces for the multi-electron processing of vital redox couples including: H2O//O2; CO2//CO CO2//HCOOH. The expected results are relevant for the urgent challenge of renewable energy vectors and feedstocks, while addressing the functional frontier of H2O splitting and selective CO2 reduction for a carbon-neutral circular economy. The multi-faceted composition and structural diversity of biological materials are key aspects that regulate multi-electron processes such as respiration (water-oxygen cycle) and metabolism (CO2 fixation) within living tissues. NANOARC aims at new concepts in bio-inspired electroactive materials, overarching the natural benchmark with respect to robustness and versatility, and at the same time deciphering structure-activity descriptors to optimize performance within the artificial device.
With this aim, NANOARC materials and photoelectrocatalytic interfaces will be shaped by a modular assembly of organic-inorganic building blocks with complementary properties including: molecular recognition and confinement phenomena, surface area, electron and proton transport, multi-site catalysis, stereo-electronic modulation of reactive intermediates, self-healing. Different electrodic materials will be designed on the basis of the specific roles that they will play in view of a final photoelectrocatalytic device. On the anodic side, quantasomes will realized by supramolecular assembly of sensitizers for harvesting visible light (cross-linked PBIn-Lock polymers) and water oxidation catalysts (Ru4POM) onto state-of-the-art photonic electrodes (inverse opal indium−tin oxide substrates – IO-ITO). On the cathodic side, multifunctional electrocatalysts will be synthesized by coating of multiwalled carbon nanotubes with nanocomposites mixed oxides (i.e. CeO2-ZrO2, Bi2O3, SnO2 Cu2O etc.) with tailored concentration of oxygen vacancies. The cathodic electrodes will be assembled into Gas Diffusion Layers to favour the contact of liquid electrolyte and gasoues CO2 at the electroactive interface. The gas/liquid microenvironment will be modified by introduction of hydrophobic components by layer-by-layer assembly (LbL) technique and Langmuir-Blodgett (LB) film deposition, that also allows a valuable control over both the interfacial adhesion and the dimensional organization of the material network, spanning several orders of magnitude (from nm to cm). Fundamental electrocatalysis studies will be used to probe the NANOARC systems by evaluating their electrodic response for the Oxygen Evolution Reaction (OER) and the CO2 reduction reactions (CO2-RR), in terms of overpotential, faradaic current and yield, selectivity and long-term performance. Structure-reactivity relationships will build on state-of-the-art spectroscopies, microscopy imaging and nano-tomography of the electroactive materials and surfaces.

•    Responsabile Scientifico: Corradini Carlo
•    Dipartimento: Matematica, Informatica e Geoscienze
•    Codice Progetto:  2022ZH5RWP_002
•    CUP: J53D23002950006
•    Finaziamento MUR UniTS: 60.970,00 €

Abstract: At the end of the Palaeozoic and early Mesozoic, the southwestern palaeoeuropean sector was the core of the newborn Pangaea supercontinent. This last represented the end point of a Wilson Cycle started with the earliest Palaeozoic Pannotia dismembering after rifting, followed by drifting, subductions, opening of back-arc basins, up to the final amalgamation among Gondwana, Laurussia and the train of interposed terranes (Hunia superterrane, Galatian Terranes). Reshaping the palaeogeographical pictures from the Early-Middle Triassic and Permian West Europe backwards to the Silurian constitutes an intriguing challenge, especially in its Italian continental outcrops (Tuscany, Southern Alps, Carnic Alps). Within this general rationale, targets of the Project are: i) the pre-Variscan palaeogeographical scenario and its evolution, the significance and latitudinal extension of oceanic basins (e.g., Rheic and South-Armorican oceans) as well as precise timing of their closure as a response to geodynamical processes that, in the interval Devonian-early Carboniferous, lead to the Variscan belt collisional events; ii) the post-collisional scenario during late Carboniferous and Permian times, with the birth of transtentional continental basins and the changes induced by the dextral megashear, possibly related to a Pangaea B to Pangaea A model; iii) the first witnesses of the Alpine cycle within the Early-Middle Triassic continental to marine deposits in key areas pertaining to different domains of southwestern palaeoeurope and Adria l.s. The proposed project, in continuity with previous investigations of the proponents, will focus on new unsolved questions. Palaeogeographic and geodynamic reconstructions of the identified areas go necessarily through new and detailed biostratigraphic studies of marine and continental biota which can provide fundamental clues for the accretion and to the repositioning of terranes with different provenance. The project specifically aims at deciphering the different depositional units developed both before and after the phase of Variscan collision, using their biological content (conodonts, molluscs, gastropods, micro and macroflora, ichnofossils) with the fundamental insights of (geo)chemical and (micro)spectroscopic analyses, which will provide information on palaeogeographical and palaeobiogeography changes. The investigations will be constrained and correlated with well-studied, adjacent European sectors (Sardinia, Spanish Pyrenees, Balearic Islands, Boemia) to achieve a broader global scenario. Multidisciplinary expertise and skilled methodologies will contribute to reconstruct the arrangement and evolution of this southwestern palaeoeuropean sector, shading light in the climatic and environmental changes that will constrain the development of the Tethys Ocean and its involvement in the Meso-Cenozoic Alpine cycle.

•    Responsabile Scientifico: Grassi Mario
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  2022K4Y33B_001
•    CUP: J53D23002200006
•    Finaziamento MUR UniTS: 65.833,00 €

Abstract: In this project we aim to characterize by rheology, low-Field NMR, and particle tracking, sputum from patients with cystic fibrosis or chronic obstructive pulmonary disease in order to relate sputum properties to the patient's clinical status.

•    Responsabile Scientifico: Lanzilotto Valeria
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  2022AXN9EK_002
•    CUP: J53D23007500006
•    Finaziamento MUR UniTS: 112.317,00 €

Abstract: We propose a combined experimental and theoretical investigation protocol, aimed at revealing the reaction intermediates of proton-coupled electron transfer (PCET) process for selected triazine-derived electrodes (TDEs). The main goal of the project is to achieve the correct understanding of the organic-assisted water catalysis process.  Our strategy is to monitor the chemical/electronic modifications of the H2O/TDE interface under operando conditions (i.e. illumination), by means of surface sensitive techniques such as X-ray Photoemission Spectroscopy (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. By characterizing the H2O-TDE interaction under illumination, we will explore the possible spectroscopic fingerprints of both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) occurring at the interface. The theoretical modelling of the bonding scheme between TDE and H20 and between TDE and hydroxyl radical (OH) will support the interpretation of experimental spectra and the description of the observed reaction intermediates.

•    Responsabile Scientifico: Marchesan Silvia
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  2022XEZK7K_001
•    CUP: J53D23008860006
•    Finaziamento MUR UniTS: 121.584,00 €

Abstract: The WHO declared antimicrobial resistance (AMR) among the top-10 global health threats to require urgent action, especially to develop new antimicrobials (AM) that 1) do not contribute to drug-pollution of the environment, 2) synergize with antibiotics, and 3) yield active coatings for medical devices, or gels for topical use, also in surgery.
This project aims to develop smart AM based on self-assembling short peptides to be produced at low-cost on a large scale. The design will include both D- and L-amino acids at specific positions for enzymatic stability. Preliminary data confirmed that tripeptides can assemble into AM nanosized water-channels, which, at higher concentrations, gel at physiological conditions. The bioactivity resides solely in the supramolecular structures (thus allowing on/off switching of AM activity), and was shown also on a clinical isolate of K.pneumoniae. No cytotoxicity was noted on mammalian cells in vitro, giving scope for their development against community- and hospital-acquired infections.
The strategy includes two designs with increasing complexity. The low-risk stage will apply the emerging structure-to-activity relationship data to improve the profile of established water-channel forming systems. The high-risk, highly innovative stage aims to stabilize the channels by using dynamic covalent chemistry, which already proved successful on other supramolecular structures in other fields.
The AM activity will be switched on/off as needed, through either reversible or irreversible processes. The first type will feature variations of pH or temperature compatible with intended use. The second type will implement a UV-triggered desulfurization reaction to convert an assembling peptide to a non-assembling analog for safe disposal. Adhesive hydrogels and coatings for medical devices will be developed based on mussel-inspired catecholamine chemistry. Proof-of-principle data demonstrates the feasibility of these approaches, although they have not yet been implemented in AM systems.
This multidisciplinary project brings together an excellent consortium that includes: chemists, experts in peptide supramolecular soft matter (UniTS); microbiologists for biological testing, also on clinical isolates and biofilms (UniPV); nanomaterial scientists for the elucidation of the action mechanism through the development of innovative characterization methods and synchrotron-based advanced techniques (UniTS and Elettra synchrotron sub-unit); two surgeons to develop specific applications as medical-device AM coatings in urology (UniTS). Finally, the Coordinator, who appears regularly on national TV and radio programs, and who received many awards for promoting diversity and inclusion, will ensure effective dissemination and foster team members’ participation to public events and school visits, not only to reinforce the role of science for the benefit of society, but also to sensitize the public on the correct use of antibiotics.

•    Responsabile Scientifico: Posocco Paola
•    Dipartimento: Ingegneria e Informatica
•    Codice Progetto:  2022R72WYH_003
•    CUP: J53D23003500006
•    Finaziamento MUR UniTS: 56.238,00 €

Abstract: Continuous-flow manufacturing is an enabling technology, which provides safer and more environmentally friendly processes due to lower reaction volumes, better control of reaction variables, better product selectivity, and combines efficiency through potentially access to new reaction space and sustainability thanks to the smaller footprint, reduced waste generation, and energy saving.
Process intensification is considered one of the most promising paths for meeting the Sustainable Development Goals and delivering the European Green Deal. As such, there is a compelling need in fully unlocking the process intensification potential of continuous flow production technology.
Nanogels can be defined as submicron-sized hydrogels, formed by physically or chemically crosslinked polymeric chains, which give rise to a three-dimensional tunable porous network with a high capacity to absorb water. They are very versatile and constitute the starting platform for an extremely wide range of potential applications in areas as drug delivery, diagnostics, imaging, tissue engineering, catalysis, and sensing, among others. Major limitation to their industrial translation depends on the ability to precisely control and reproduce their synthesis on a large scale since properties and performances are highly dependent on their size and structure.
The project COPY aims to shift from multi-step batch (lab scale) to one-pot continuous (pilot scale) the production of bio-based nanogels through the development of scalable, controlled flow reaction processes based on microreactor technology. For this purpose, COPY will employ an integrative multidisciplinary approach combining molecular understanding of nanogel transport and absorption properties with synthetic organic chemistry concepts and chemical engineering knowledge in process design, aiming at an efficient breakthrough in process development and operation.
As a proof-of-concept study, COPY will target crosslinked poly(acrylic acid) based nanogels, obtained from renewable resources (corn derived lactic acid) and tested for drug delivery of anti-inflammatory drug. Key advantages of the newly developed process will be: i) shift from batch to continuous manufacturing; ii) marked reduction in the number of synthetic steps (from many to one); iii) reaction conducted in aqueous medium; iv) use of bio-based raw materials; v) increased safety (e. g. through better temperature control and safer handling of materials); vi) direct inclusion of drug during nanogel synthesis.
COPY objectives are to overcome the traditional way of linear batch process development, demonstrate the feasibility of a large-scale continuous synthesis of bio-based nanogels, and provide the necessary tools for the development of an efficient, sustainable continuous manufacturing platform for a widely used family of multipurpose nanogels.

•    Responsabile Scientifico: Vesselli Erik
•    Dipartimento: Fisica
•    Codice Progetto:  2022XXJNRS_001
•    CUP: J53D23001510006
•    Finaziamento MUR UniTS: 64.624,00 €

Abstract: Metal-air rechargeable batteries represent an option liable to overcome intrinsic limitations and drawbacks of Li-based technologies, becoming an extremely hot topic [Sun2021]. However, the charge and discharge processes require bi-functional catalysts, active towards both oxygen reduction (ORR) and evolution (OER) reactions [Zhao2020]. These represent tough materials science and surface physics challenges [Indra2014, Lee2016, Huang2017]. The recent observation that the bias applied to the OER electrode does not act directly on the reaction coordinates, but rather affects charge accumulation [Nong2020], fostered our idea that a biomimetic approach exploiting the surface trans-effect in self-assembled metalorganic networks supported by 2D materials may accomplish the task [Vesselli2020-2021]. This is corroborated by recent progress in bi-functional catalysis based on Co, Ni and Mn, by the observed activity of metal-N-C materials [Bocchetta2015-2016, Bozzini2014-2015_1-3-2017, Meng2016], and by the recent characterization of the reaction mechanisms at the single-atom level [Armillotta2020-2022]. Theory predicts that, while the best materials for ORR and OER do not coincide, a compromise can be achieved in principle [Huang2017, Rossmeisl2007]. At variance with present bi-phasic materials prototypes, we propose an innovative mono-phasic single-atom catalyst biomimetic approach. Here, non-equivalent single metal atoms reactive centers are embedded and stabilized in an organic bimetallic 2D crystal grown on a tuning template 2D functional substrate like e.g. graphene. Bimetallic crystals not only gather the best contribution from each species (like Mn and Co, or Ni, among the best candidates), but yield novel properties due to charge delocalization and exciton dynamics [Corva2018]. By exploiting the surface trans-effect, p- or n-doping of the metalorganic sites can be obtained [Corva2019], thus tailoring their specific activity and selectivity [Armillotta2020-2022]. A relevant aspect of the proposal consists in the thorough and multidisciplinary approach granted by the complementary expertise of the research units. The research activity will step through predictive ab initio computational modeling, surface science experiments with conventional techniques and at large scale synchrotron radiation facilities, non-linear methods for in situ et operando characterization of model 2D materials, pump-and-probe laser-based spectroscopies for the investigation of charge dynamics, applicative materials synthesis and testing of prototype electrodes. Whereas research on bifunctional oxygen electrocatalysts is conducted in many groups worldwide, the key feature of this project is its integrated approach, encompassing: in silico design of model systems, synthesis and characterization of the materials under real operating conditions, device assembly with operando characterization, and functional testing of performance and durability.

•    Responsabile Scientifico: Coccia Emanuele
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  20224KAC28_001
•    CUP: J53D23007350006
•    Finaziamento MUR UniTS: 97.298,00 €

Abstract: The main goal of the present proposal is the development and application of a joint theoretical/computational approach for the study of high-harmonic generation (HHG) spectroscopy in chiral molecules by means of two-color bicircular pulses. HHG is a nonlinear physical process used for the production of ultrashort pulses in XUV region, which are then used for investigating ultrafast phenomena in time-resolved spectroscopies. Moreover, HHG signal itself encodes information on electronic structure and dynamics of the target, possibly coupled to the nuclear degrees of freedom. Investigating HHG signal leads to HHG spectroscopy, which is applied to atoms, molecules, solids and recently also to liquids. Analysing the number of generated harmonics, their intensity and shape gives a detailed insight of, e.g., ionisation and recombination channels occurring in the strong-field dynamics. A number of valuable theoretical models has been developed over the years to explain and interpret HHG features, with the three-step model being the most known one. Originally, these models neglect the complexity of the propagating electronic wavefunction, by only using an approximated formulation of ground and continuum states. Many effects unravelled by HHG spectroscopy are instead due to electron correlation effects, quantum interference, and Rydberg-state contributions, which are all properly captured by an ab initio electronic-structure approach. In this project we shall develop an ab initio time-dependent approach relying on the propagation of the time-dependent Schrödinger equation, in presence of magnetic interaction. 
Developed techniques will be first applied to small chiral molecules as benchmark cases. We shall be interested into studying selection rules and polarisation of the emitted harmonics, together with the combination of proper field and molecule symmetry to enhance or suppress the optical response.

•    Responsabile Scientifico: Laurini Erik
•    Dipartimento: Ingegneria e Architettura
•    Codice Progetto:  20222BL5Y4_001
•    CUP: J53D23003370006
•    Finaziamento MUR UniTS: 105.709,00 €

Abstract: Nowadays advanced materials deep-tech provides the most innovative solutions in various industrial sectors (e.g., drug and delivery system discovery, biomedical materials, polymer composites and membranes) to solve problems of very different nature - from alternative energy production to advanced packaging to medical applications. However, the widespread implementation of polymeric materials is constrained by the low commercialization rate of new high-performance polymers.
Amongst the several polymers, thermoplastic polyurethanes, TPUs find application in different fields as coatings, adhesive, solid elastomers and foams, thanks to their inborn versatility and tunable properties with manipulation of structure and composition of the components. TPUs, are synthesized from reaction between suitable polyols, aromatic and aliphatic-based isocyanate and chain extender components, and they are considered as block copolymers since they have rigid (hard) and flexible (soft) molecular units arranged alternately. These units arranged in hard domains responsible for properties at high temperatures and thermomechanical properties, while the soft domains control the properties of flexibility at low temperatures and the chemical resistance to solvents and weather. The chemical interactions and morphology of these domains, which realizes in the interface regions, lead to different chemical, mechanical and thermal properties.
One of the most effective ways to directly relate TPU composition and properties, suggesting domain knowledge and providing advantages in the predicting fundamental properties of complex materials system, is to use computer-aided material design (CAMD) schemes. The CAMD could drastically limit the number of money- and time-expensive trial-and-error attempts to design, characterize, and test the final TPU-based materials. Most of the current CAMD-based approaches are limited to multiscale simulations (MS) approaches which, albeit effective, do not allow for an efficient exploration of the full chemical space required to sequentially transform existing – and even more so – completely new chemical entities into novel polymers.
An innovative but realistic solution to this problem could rely on new CAMD strategies based on the coupling of MSs and deep-neural-networks-based machine learning (DNN-ML) methods, a concept still in its infancy but gaining momentum, particularly in sectors like quantum/physical chemistry and molecular physics [1,2]. Yet, the practical benefits of these MS/DNN-ML strategies in real-world applications (and specifically in polymer science) still await definitive verification. Thus, the aim of CAPTOR proposal is to develop novel methods for the virtual design of new TPU materials with tailored performances and successive verification, based on the combination of MS and DNN-ML techniques coupled with experimental characterization.

•    Responsabile Scientifico: Hasa Dritan
•    Dipartimento: Scienze Chimiche e Farmaceutiche
•    Codice Progetto:  2022FRNFMT_002
•    CUP: J53D23008660006
•    Finaziamento MUR UniTS: 49.355,00 €

Abstract: nowadays widely accepted that the pediatric population has different needs from adults. For example, the difficulty of swallowing is typical for most types of medicinal treatment among children. Specifically to the antibiotic therapy, additional limitations can be mentioned such as inappropriate biopharmaceutical properties (low solubility and/or permeability), low stability in the gastrointestinal tract, etc. Therefore, there is an urgent need of developing age-tailored dosage forms for antibiotic administration in pediatric patients.
This project will explore and combine innovative strategies to obtain suitable oral antibiotic formulations, specifically designed for various pediatric age groups, through the advancement of new approaches for personalized medicine. By using a highly efficient and iterative research plan among the four research units involved in the p3Diatrics project, new medicines will be designed and developed starting from the preformulation stage to the formulation and assay studies, using a bottom-up experimental approach. The goal is improving safety, efficacy, and acceptability, thus fulfilling specific pharmaceutical requirements such as bioavailability, dose uniformity, ease and safe administration. Specifically, in the preformulation stage, the project will explore the cocrystallization for increasing both physico-chemical properties and palatability of selected antibiotic molecules. Subsequently, different permeation enhancers will be evaluated with the proposal to increase drug absorption through mucosal membranes. Once identified the most suitable strategy able to improve antibiotic’s properties, different 3D printing techniques will be evaluated to produce dosage forms for oral administration. The formulations will be developed using excipients regarded as safe for children. The obtained dosage forms will be characterized as regards the physico-chemical, technological and functional properties.
p3Diatrics will impact current clinical scenarios by providing personalized therapies that, combined with an innovative approach from the materials science and formulation technology fields, represent an important step forward for the improvement of pharmacological compliance in pediatric antibiotic treatments. Finally, the positive impact on the environment is also an important objective of p3Diatrics; the possibility of personalizing the therapy in terms of doses and dose-units can contribute to drug waste minimization.

•    Responsabile Scientifico: Scazza Francesco
•    Dipartimento: Fisica
•    Codice Progetto:  2022ATM8FY_001
•    CUP: J53D23001730006
•    Finaziamento MUR UniTS: 128.388,00 €

Abstract: Thermodynamics is a highly successful framework to describe many-particle equilibrium systems through a small number of collective variables. Yet, in quantum systems, it is still unclear how thermodynamic behavior emerges microscopically from far-from-equilibrium initial conditions, as the evolution of closed quantum systems is unitary. While it has been realized that the distribution of correlations among many constituents is a key driving mechanism of equilibration, microscopically tracking the dynamical build-up of this process is a formidable challenge: At long times, close to equilibrium, hydrodynamics allow for an efficient description in terms of few collective degrees of freedom, but intermediate time scales are characterized by high complexity and pose serious challenges even for the most advanced theoretical and computational techniques. Significant progress in understanding the microscopic evolution of complexity and emergence of equilibration can only be driven by a strong confluence of theoretical and experimental endeavors.
An exciting inroad in this context is opened by a new generation of quantum simulation machines, where many-body systems can be engineered at the level of individual constituents. Amongst the possible implementations, quantum simulators based on ultracold atoms offer an unprecedented magnifying glass for probing coherent out-of-equilibrium dynamics over long time scales. In CoQuS, we will follow a bottom-up approach and implement atomic simulators with a small number of precisely assembled constituents. Such small-scale quantum simulators are excellent playgrounds to shed light on the reciprocity between equilibration and complexity, both from the theoretical and the experimental point of view, as they allow for tracing an explicit connection between microscopic dynamics and non-equilibrium statistical mechanics. To this aim, we will leverage some of the most powerful tools in statistical and computational physics: (i) fluctuation-dissipation relations and (ii) complexity theory. A new experimental platform based on ultracold two-electron atoms will enable novel diagnostics for quantifying equilibration and complexity, owing to an increased coherent control and ultra-precise probing capabilities. Experimental explorations will be guided by state-of-the-art theoretical approaches, allowing us also to devise new strategies and establish presently lacking, rigorous connections between complexity and nonequilibrium dynamics. Our cross-disciplinary approach, bringing together methods from quantum many-body physics, quantum information theory and quantum optics will ensure the success of the project.
Advancing our comprehension of nonequilibrium quantum matter fundamentally underpins the development of quantum technologies. Our project has great potential for breakthroughs in this direction, creating an innovative, young Italian consortium and a seed for long-lasting collaborations.

•    Responsabile Scientifico: Saro Alexandro
•    Dipartimento: Fisica
•    Codice Progetto:  20225E4SY5_001
•    CUP: J53D23001540006
•    Finaziamento MUR UniTS: 8.068,00 €

Abstract: The Proto2Clusters project will investigate the formation of the most massive systems in the Universe, exploring a critical epoch when large-scale protocluster structures collapse to form the virialized galaxy clusters observed at later cosmic times. With their extreme environments, galaxy clusters offer a prime opportunity to investigate outstanding questions in extragalactic astrophysics:
What is the role of environment in driving the evolution of galaxies? What is the role of galaxy star formation and nuclear activity in shaping the properties of the intracluster medium? What is the connection between AGN on sub-parsec scales, galaxy populations, and the surrounding large scale structure on scales of hundreds or thousands of kiloparsecs?
While a "concordance picture" of the cluster evolution out to z~1 is now broadly established, the earlier phases of their formation bridging protocluster environments at z>2 and the virialized clusters at z~1 are far more complex, uncertain and still controversial.
Our team builds on a solid track record of collaborative work between team members designing and analysing multi-wavelength observations and those developing state-of-the-art theoretical models of structure and galaxy formation and evolution. This synergy is crucial for a proper interpretation, in a broader cosmological context, of the transition phase between protoclusters and their massive and virialized descendants observed about 1 Gyr later. In addition, the proposed approach critically allows us to frame the unique observations at the core of our project within the broader context of forthcoming (proto)cluster surveys. Specifically, our team will take advantage of:
1) multiwavelength observations of the Spiderweb protocluster at z=2.16, the only structure exquisitely covered with data from all major facilities, allowing a detailed characterization unparalleled among similar structures at its redshift;
2) multiwavelength observations of the only currently available statistical sample of very massive clusters at z≳1.4, with an approximately mass-based, galaxy unbiased selection, and homogeneously observed with dedicated follow-ups on major facilities;
3) state-of-the-art theoretical models of galaxy evolution and structure formation, including sophisticated semi-analytical models coupled to high-resolution, large cosmological boxes and hydrodynamical cosmological simulations of individual massive clusters.
Results from Proto2Clusters will provide the first comprehensive study of the initial phases of the virialization of the intra cluster medium (ICM) and of the environmentally-driven evolution of galaxies and AGNs, across the most transformational phase of cluster formation. The relevance of this work will extend well beyond the duration of the project, setting the stage for the forthcoming cluster and protocluster surveys from next generation observational facilities (e.g. Euclid, LSST, SPT3G, CMB-S4, Athena).

•    Responsabile Scientifico: Buttazzoni Giulia
•    Dipartimento: Ingegneria e Architettura
•    Codice Progetto:  2022N3A93J_002
•    CUP: J53D23000800006
•    Finaziamento MUR UniTS: 20.000,00 €  

Abstract: ND

•    Responsabile Scientifico: Cozzarini Luca
•    Dipartimento: Ingegneria e Architettura 
•    Codice Progetto:  2022HAS7JY_002
•    CUP: J53D23001410006
•    Finaziamento MUR UniTS: 93.845,00 €

Abstract: The reduction of cost-effectiveness ratio in light-harvesting technology would represent a significant step towards the development of a sustainable economy based on solar energy conversion and storage. In this context, the exploitation of low-dimensional materials as building blocks for next-generation devices appears as a promising route to meet the future technological challenges. 2D semiconductors are at the core of this strategy, as they present most of the requested physical and chemical properties for the evolution of more efficient optoelectronic tools. However, actual devices empowered by 2D materials still underperform respect to state-of-the-art silicon-based solar cells and photovoltaics. The QUBOP project, QUest for BOron Phosphide, aims at synthesizing with a bottom-up approach a novel, theoretically predicted flat semiconductor: single-layer boron phosphide (BP). This material is expected to possess a direct bandgap in the near-infrared range, high carrier mobility, an excellent planar and vertical interjunction with other flat 2D materials. Its calculated optoelectronic properties, combined with high mechanical stiffness and complete flatness, could make BP the low-dimensional counterpart of silicon, possibly outperforming other state-of-the-art 2D semiconductors such as black phosphorus or transition metal dichalcogenides. To accomplish this task, the project deploys a multidisciplinary collaboration encompassing advanced growth procedures, experimental surface science, time-resolved optical techniques and first-principle theoretical calculations. This integrated approach, structured in a careful step-by-step validation process, aims at igniting the applied research on BP, by providing specific instructions on the viable synthesis methods, by characterizing its most relevant optoelectronic properties and by developing reliable theoretical calculations simulating realistic conditions. This solid scientific knowledge could pose the basis for the engineering of future high-end light-harvesting devices. The project is carried out by under40 PI and substitute PI.

•    Responsabile Scientifico: Marzullo Domenico
•    Dipartimento: Ingegneria e Architettura
•    Codice Progetto:  2022JCZJ33_003
•    CUP: J53D23000720006
•    Finaziamento MUR UniTS: 49.254,00 €

Abstract: ND

•    Responsabile Scientifico: Franceschi Marco
•    Dipartimento: Matematica, Informatica e Geoscienze
•    Codice Progetto:  2022A5XC3W_003
•    CUP: J53D23002650006
•    Finaziamento MUR UniTS: 62.000,00 €

Abstract: This project aims at reconstructing a high-resolution multi-proxy stratigraphy across the Carnian Pluvial Episode (CPE).
The CPE is an interval of major climate and environmental modifications in the Earth Systems associated to a multi-phase perturbation of the carbon cycle, likely connected to the emplacement of the huge volumes of volcanics of the Wrangellia Large Igneous Province. The CPE is a complex event characterized by at least three negative shifts in the global d13C record and is marked by striking sedimentary and biological changes: a crisis of shallow water carbonate systems, pulses of increased terrigenous input into sedimentary basins, global sea-level oscillations, major floral turnovers, radiations and extinctions in both marine and continental biota. During the CPE, pelagic calcifiers rose in the oceans as significant carbonate producers, scleractinian corals became for the first-time major reef-builders, dinosaurs underwent the first large diversification, conifers spread on continents as they never did before in Earth history. Whereas the sedimentary expression of the CPE and its relevance as an evolutive turning point has been proven, the exact succession and, therefore, the timing and cause-effect relationships between the events occurred across each d13C perturbation are still unclear. Therefore, key information is lacking to understand the mechanisms through which this major step in the evolution of life on the planet took place.
The overarching goal of this project is to shed light on this complexity by precisely disentangling the succession of the phenomena that occurred across the major isotope shifts of the CPE. This will be achieved through an integrated stratigraphic approach that will include geochemistry, palynology, cyclostratigraphy, sedimentology and sequence stratigraphy on two key-areas where continuous sedimentary successions recording the CPE in different paleogeographic settings are exposed: the Southern Alps (Julian Alps and the Dolomites, northern Italy) and the Lagonegro Basin (Southern Italy). Analyses will be carried out on samples collected on two cores to be drilled for this project and on selected stratigraphic sections.
The assessment of the temporal succession of the phenomena occurred across each major carbon-isotope shift and the construction of a detailed stratigraphy will make it possible to elucidate whether they occurred in a systematic order and to explore potential cause-effect relationships elucidating how Earth Systems reacted to extreme environmental changes occurred at the CPE.
The project involves an interdisciplinary team including geologists, geochemists, paleontologists and chemists from five Departments of three Universities: Ferrara, Padova and Trieste.