Dario Duca is a Full Professor in the Department of Physics and Chemistry at the University of Palermo . His research focuses on computational chemistry and catalysis, particularly using Density Functional Theory (DFT) and microkinetic modeling to study reaction mechanisms on nanoscale catalysts. He teaches General and Inorganic Chemistry (10 CFU) and Higher Inorganic Chemistry (8 CFU) for the Chemistry degree program. Fields of Interest: Computational chemistry, catalysis, DFT, materials science, nanotechnology, surface chemistry, reaction kinetics His recent work includes DFT studies of CO/H2 purification over MnO2 catalysts, biomass conversion using halloysite nanotubes, and platinum particle growth in zeolites. He has developed computational tools like the Empathes code for transition state analysis. Contact: dario.duca@unipa.it | Office hours: Mon-Fri 1:00-2:00 pm, Sat 10:00-13:00 at Ed.17, University of Palermo.
Dr. Soufiane Krik is a postdoctoral researcher at the Free University of Bolzano , affiliated with the Faculty of Engineering . His work focuses on sensing technologies , particularly developing flexible and sustainable electronic components via advanced printing methods. His research bridges materials science , nanotechnology , and green electronics . Education: Ph.D. in Physics, University of Ferrara (2021) M.Sc. in Physics and New Technologies, University of Casablanca (Physics Department) Dr. Krik's research spans chemiresistive gas sensors , Density Functional Theory (DFT) simulations , and biodegradable substrates for flexible electronics. Recent work explores Agave silk fibers , cellulose-based thermal sensors , and transient zinc sensors for biomedical applications. His publications (2018–2025) highlight expertise in metal oxide sensors , quantum dot functionalization , and environmentally friendly materials . He investigates oxygen vacancy dynamics , conjugated polymers , and biomaterial integration for next-generation sensors.
Giorgio Pastore is an Associate Professor in the Department of Physics at the University of Trieste. He serves as a member of the Department's Board and Boards of Studies for both SM20 and SM23 Physics programs. His research focuses on theoretical and computational aspects of condensed matter physics, with particular expertise in liquid state physics, colloids, and glass transition phenomena. Pastore's research interests span Condensed Matter Physics, Theoretical Physics, Computational Physics, Liquid State Physics, Colloids, and Glass Transition. His work involves theoretical and computational research on liquid states and disordered systems, with special attention to colloids. Recent projects include extension of classical liquid theory approaches (RHNC-type integral equations) to colloidal systems with short-range and anisotropic interactions, studies of self-assembling colloids including Janus systems, ab-initio (DFT) studies of molten salts and ionic liquids, and investigations of the glass transition using Random First Order Transition theory. His publication record shows significant contributions to understanding the physics of liquids and colloids, with recent work focusing on liquid-liquid phase transitions in supercooled water, arrested states in colloidal fluids, electronic structure of liquids, and theoretical aspects of the glass transition. His research employs a combination of analytical methods, integral equation theory, numerical simulations, and computational techniques. Pastore is actively involved in physics education, having contributed to professional development programs for physics teachers and interdisciplinary educational initiatives. His work bridges theoretical physics with practical educational applications, demonstrating commitment to both research excellence and pedagogical innovation. He maintains active research collaborations with colleagues from various institutions including A. Giacometti from Venice, F. Lado from NC State University, and F. Sciortino from Rome, as well as international researchers in Montpellier and Paris.
Maria Laura Parisi is an Associate Professor at the University of Siena's Department of Biotechnology, Chemistry and Pharmacy. She leads the R 2 ES Lab (Research on Renewable Energy and Sustainability), specializing in multi-scale Life Cycle Assessment (LCA), eco-design of sustainable materials, computational modeling for photovoltaics, and geothermal energy optimization. Her work bridges physical chemistry, environmental science, and industrial sustainability. Teaching: Sustainable Industrial Biotechnology , Life Cycle Thinking , Physical Chemistry , Sustainable Energy Research Focus: Renewable energy systems, computational chemistry, circular economy, and resource efficiency The R 2 ES Lab develops innovative photovoltaic materials, conducts LCA studies for energy systems, and promotes eco-design strategies. Their work spans from in silico material design to environmental footprint calculations and industrial process optimization. Her recent publications highlight expertise in perovskite solar cells, indoor photovoltaics, circular bioeconomy, and computational modeling. Articles investigate topics like hybrid bacteriorhodopsin systems, ML/DFT dye prediction, and recycling strategies for tandem solar cells. Labs: R 2 ES Lab for renewable energy and sustainability Contact: parisi11@unisi.it
Alfonso Pedone is an Associate Professor at the Department of Chemical and Geological Sciences , University of Modena and Reggio Emilia. His research focuses on computational chemistry approaches to understanding oxide glasses, including silicates, borosilicates, and nuclear waste materials, through molecular dynamics simulations and machine learning potentials. Research Interests : Computational materials science, spectroscopy, glass structure-property relationships, quantum chemistry of minerals, and machine learning applications in material modeling. Teaching : Offers advanced courses in Physical Chemistry I , Energetics and Chemical Equilibrium , and Molecular Spectroscopy for chemistry and sustainable chemistry degree programs. Technical Expertise : Specializes in Density Functional Theory (DFT) calculations, metadynamics, and reactive molecular dynamics for surface interactions and crystallization studies. Collaborative Work : Co-author on studies involving ceria polishing mechanisms, iron toxicity modeling, and machine learning potential benchmarking for industrial applications. Publications : Recent work examines pressure-induced glass densification, dispersion interactions in machine learning potentials, and predictive modeling of glass crystallization pathways.
Francesco Muniz Miranda is an Associate Professor in the Department of Chemical and Geological Sciences at the University of Modena and Reggio Emilia (UNIMORE), Italy. He specializes in physical chemistry and computational spectroscopy , with a robust portfolio in density functional theory (DFT) , surface-enhanced Raman scattering (SERS) , and molecular dynamics simulations . His teaching includes courses on Chemical-physical methods for the characterization of materials and Physical Chemistry and Molecular Spectroscopy for both undergraduate and master's students. Research Interests His research spans a diverse range of fields, including: Computational modeling of molecular interactions and spectroscopic properties Enzyme catalysis and plastic degradation mechanisms (e.g., PETase) Nanomaterials and plasmonic systems for sensing and catalysis Metal-organic frameworks (MOFs) and their stability under extreme conditions Coordination chemistry and spin crossover phenomena Surface science and spectroscopy of nanostructured materials His work often integrates experimental validation with high-level computational modeling , bridging theory and application in materials science and catalysis. Publications and Research Output From 2025 to 2018, he has consistently published in high-impact journals. His recent work includes mechanistic studies on PETase-catalyzed plastic hydrolysis, DFT-based SERS analyses, and MOF stability studies. These articles reflect a strong focus on sustainability, advanced spectroscopy, and computational benchmarking. Teaching and Mentorship He teaches both undergraduate and master's level courses, emphasizing spectroscopic techniques, quantum chemistry, and materials characterization. His courses include practical components such as laboratory exercises and computational modeling, often using software for spectral simulation and analysis. Laboratory and Collaborations He is affiliated with the Department of Chemical and Geological Sciences at UNIMORE and has access to advanced instrumentation. He collaborates with national and international institutions, including universities in Florence and Belgium, and participates in interdisciplinary projects combining chemistry, physics, and materials science.
Roberto Cammi is a Full Professor at the University of Parma , Department of Chemical, Life and Environmental Sustainability Sciences, with a career spanning from Assistant Professor (1983–1999) to Full Professor (2002–present). His research focuses on quantum chemical theories for solvated and high-pressure molecular systems. Education: Doctor of Chemistry, University of Parma (1973–1979) Research Interests: Cammi's work centers on the Polarizable Continuum Model (PCM) and its extreme-pressure extension (XP-PCM), enabling quantum mechanical studies of molecular interactions in condensed phases. Key contributions include analytical energy derivatives for electronic/vibrational properties, response theories for solvated systems, and pressure effects on organic reactions. His methods are implemented in major computational chemistry software like Gaussian and Dalton. Scientific Impact: With over 22,500 citations and an H-index of 50 (Google Scholar), Cammi's 2015 XP-PCM model for high-pressure chemistry has revolutionized studies of molecular systems under extreme conditions. His collaborations with Nobel laureate Roald Hoffmann on pressure effects in chemical reactions further highlight his influence. Scientific Awards: Member, Scientific Board of Gaussian Inc. (1996–present) Organizational Roles: Cammi has served as President of the Course Council in Chemistry (2004–2007), Coordinator of the PhD in Chemical Sciences (2013–2017), and ASN commission member for CHIM/02 (2013–2016). He co-edited Continuum Solvation Models in Chemical Physics (2008).
Ottavia Spiga serves as an Associate Professor in the Department of Biotechnology, Chemistry and Pharmacy at the University of Siena, Italy. She teaches advanced courses including "Big Data Issues in Computational Biological Chemistry" and "Nutrition Biochemistry" for Master's and Pharmacy programs, with current assignments for the 2025/2026 academic year. Her research integrates Biochemistry , Computational Biology , and Pharmacology through cutting-edge machine learning and structural bioinformatics approaches. Key focuses include: molecular mechanisms of flavonoids as vasorelaxant/antioxidant agents, precision medicine strategies for rare diseases like Alkaptonuria, and AI-driven drug discovery pipelines. Her work bridges experimental validation with computational modeling to address cardiovascular pharmacology and sustainable biotechnology challenges. Analysis of her 2024-2025 publications reveals dominant trends in AI-enhanced drug development , with 60% of recent work applying machine learning to: immunogenicity prediction (SHASI-ML), protein-mutation profiling in Mendelian diseases, and natural product repurposing. Strong thematic continuity exists in vascular channel modulation (CaV1.2/KCa1.1), rare disease biomarker discovery, and circular bioeconomy applications of agricultural by-products—demonstrating a cohesive research vision merging computational innovation with biochemical experimentation.
Maria Franca Brigatti is a Professor at the Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia. Her work focuses on clay mineral functionalization for environmental applications, particularly gas-phase pollutant capture using Cu(II) and Fe(III) intercalated montmorillonite systems. Research Highlights: Ammonia and hydrogen sulfide trapping, crystal chemical analysis of micas, computational modeling of interlayer complexes, and sustainable soil conditioning with zeolites. Methodologies: X-ray diffraction, UV-Vis and IR spectroscopy, thermal analysis, XPS, DFT simulations, and Mössbauer techniques. Projects: Involved in the European LIFE+ ZeoLIFE project for water-saving soil conditioners and mercury pollution control studies.
Oscar Baseggio (Staff/Student ID: 18235) is a member of the Computational Spectroscopy Group at the Department of Chemical and Pharmaceutical Sciences, University of Trieste. His research focuses on theoretical and computational methods for studying electronic excited states in molecular systems adsorbed on surfaces and metal nanoparticles. Key affiliations: Computational Spectroscopy Group (active member) Research areas: Supramolecular Chemistry and Nanotechnologies, Theoretical and Computational Chemistry His work involves Density Functional Theory (DFT) and Time Dependent DFT (TDDFT) calculations to simulate spectroscopic properties like NEXAFS spectra. Recent studies include amino-mediated molecular interactions on gold surfaces and modeling of adsorbate systems using cluster and periodic approaches. Notable activities include collaborations with the Elettra Synchrotron radiation laboratory (ALOISA beamline). Publications demonstrate expertise in computational challenges related to core excitation processes and adsorbate-substrate interactions. Scientific contributions: Spectroscopic simulation methodologies, molecular adsorption studies, excited state calculations
Orlando Crescenzi is a Full Professor of Physical Chemistry at the University of Naples Federico II, holding appointments in the Department of Chemical Sciences. His career includes roles as Vice-Director of the Department of Chemistry (2008-2011) and leadership in national and international research consortia, including the INSTM Scientific Committee and the BioStarNet S.c.a.r.l. technical board. He specializes in computational chemistry, physical chemistry, and spectroscopy, with a focus on biomolecular systems, melanin, and material design. Education: PhD in Chemistry (implied via career progression) Graduated cum laude in Chemistry from University of Naples (1987), awarded the G. Laonigro Prize. Research Interests: Dr. Crescenzi's work integrates computational methods with experimental spectroscopy to study biomacromolecules, melanin biosynthesis, and eco-compatible materials. Key areas include NMR dynamics, density functional theory (DFT), and drug screening models. His contributions span in silico drug design, antioxidant mechanisms, and redox-active materials. Grants & Projects: Principal Investigator in multiple PRIN projects (2003–2022) and coordinator of EU-funded initiatives like the CODECS COST Action. His work has driven advancements in computational spectroscopy and biomaterials. Labs & Teams: Leads the Interdepartmental Centre for Physical-Chemical Methodologies and collaborates with institutions like the Scuola Normale Superiore (Pisa) and the CNR Molecular Design Department. His research groups focus on sustainable chemistry and bioinspired materials.
Marco Govoni is an Associate Professor at the University of Modena and Reggio Emilia, affiliated with the Department of Physics, Informatics, and Mathematics. His research focuses on quantum defects, electronic structure theory, and many-body perturbation methods (e.g., GW/BSE), with applications to spin defects in semiconductors for quantum technologies, perovskites, and heterogeneous materials. He develops computational tools like the WEST code and explores quantum simulations on high-performance and near-term quantum computers. He teaches courses in General Physics and Theoretical Physics, emphasizing computational methods and material science. Research interests include: condensed matter physics, quantum computing, electronic structure theory, defect engineering, and computational material discovery. His work addresses challenges in simulating large systems, optimizing hybrid functionals, and leveraging GPU acceleration for many-body calculations. Key contributions include studies on self-trapped excitons, spin defects in diamond/SiC, and dielectric-dependent functionals for heterogeneous interfaces. Publications span topics like quantum defect embedding theory, GPU-accelerated Bethe-Salpeter equation solutions, and machine learning for dielectric screening. He collaborates widely, contributing to software interoperability and exascale computing strategies for electronic structure codes.
Francesco Pederiva is a Full Professor of Physics at the University of Trento, specializing in theoretical physics with a focus on quantum many-body systems and computational methods. He leads the Laboratorio Interdisciplinare di Scienza Computazionale (UNITN/FBK) and directs the INFN TIFPA (Trento Institute of Fundamental Physics and Applications). His academic career includes roles as Associate Professor (2010–2020), Researcher (2001–2010), and postdoctoral positions at Cornell University (1997–1999). Education: PhD in Condensed Matter Theory from S.I.S.S.A. Trieste (1994), MSc (1992), and BSc (1991) from the University of Trento. Research interests include quantum Monte Carlo methods, nuclear structure, neutron matter, and quantum computing applications in physics. He explores hypernuclei, nuclear forces from QCD, and quantum algorithms for nuclear reactions. Recent work addresses quantum annealing for frustrated systems, qubit readout enhancement, and neural network quantum states for pairing models. He has published extensively on topics like quantum computing protocols, equation of state calculations for dense matter, and applications to nuclear astrophysics. His contributions include advancing quantum-classical coprocessing and optimizing control strategies for parametric Hamiltonians. He collaborates with institutions like Lawrence Livermore National Laboratory and leads projects such as AuroraScience, focusing on high-performance computing and free-energy calculations for complex systems.
Gianni Profeta is a Full Professor at the Department of Physical and Chemical Sciences at the University of L'Aquila, affiliated with the CNR Institute for Superconductors, Innovative Materials, and Devices. His research spans superconductivity, quantum materials, and experimental particle physics, with a focus on electron-phonon interactions, 2D materials, and dark matter detection. He leads the COSINUS experiment for dark matter search using cryogenic detectors and contributes to theoretical/computational studies via tools like EPIq software. Expertise: Superconductivity, Condensed Matter Physics, Detector Technology Key Projects: COSINUS dark matter experiment, Vanadium trihalide investigations, Graphene functionalization studies Experimental Facilities: Dry dilution refrigerators, scanning tunneling microscopy setups Research emphasizes interdisciplinary approaches combining computational modeling (e.g., DFT) with advanced experimental techniques. His work bridges fundamental material science with applications in particle physics instrumentation.
Luciano Marchio is an Associate Professor at the Department of Chemical Sciences, Life and Environmental Sustainability, University of Parma. He holds a PhD in Chemistry (2002) and a cum laude Degree in Chemistry (1997) from the same institution. His research spans coordination chemistry, computational methods (DFT), and anticancer metal-based compounds. Research interests include: (1) Designing ligands for coordination polymers and supramolecular structures with applications in electro-catalysis and microporosity; (2) Density functional theory (DFT) studies of magnetic and luminescent properties in organometallic systems; (3) Investigating metal complexes for anticancer therapies and cell death mechanisms. Recent work focuses on functional coordination compounds, ligand engineering, and bioinorganic applications. His scientific accolades include the FABBR-2017 award. He has published over 130 peer-reviewed papers and contributed to 40 conference presentations. Teaching responsibilities include Inorganic Chemistry Laboratory and Solid State Chemistry for first- and second-cycle Chemistry degrees. Scientific Awards : FABBR-2017 award Collaborations span institutions in Italy, Spain, USA, and France, including Prof. Vincent Pecoraro (University of Michigan) and Prof. Tobin J. Marks (Northwestern University). Supervision includes 20+ first- and second-level students and 6 PhD theses.
