People
keywords:
Photoinduced processes, Non adiabatic dynamics, Computational modeling of molecular systems
Francesco Calcagno
Research fellow
keywords:
Computational chemistry, Chemical reactivity, Homogeneous catalysis, Ab-initio methods, Hybrid QM/MM methods, Simulated
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Irene Conti
Senior assistant professor (fixed-term)
Alberto Credi
Full Professor
keywords:
nanoscience, molecular motor, binary logic, dendrimer, molecular machine, catenane, luminescence, nanoparticle, metal
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Nikolaos Dimitratos
Associate Professor
keywords:
Hydrogen production, Biomass conversion, Alkane functionalisation, metal nanoparticles, In situ and operando
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Nicodemo Di Pasquale
Associate Professor
keywords:
Multiscale Modelling, Molecular Dynamics, Free Energy Calculations, Computational Fluid Dynamics, Machine Learning,
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Marco Garavelli
Full Professor
keywords:
Reaction Mechanism, QM/MM Methods, Computational Chemistry, Computational Photochemistry, Molecular spectroscopy
Marco Giorgetti
Associate Professor
keywords:
Batteries, Amperometric and potentiometric sensors, X-Ray Techniques, Metal hexacyanoferrates - Prussian Blue Analogs,
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keywords:
Periodic DFT, Surface Chemistry, Computational Catalysis, Chemicals from biomass, Hybrid Perovskites, Vibrational
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keywords:
Organic Semiconductors, Molecular Dynamics, Thin Film Growth, Crystalline Morphology, Charge Transport, Molecular Motors
Luca Muccioli
Associate Professor
keywords:
organic semiconductors, computer simulations, liquid crystals, thermally activated delayed fluorescence
Syed Tayyab Raza Naqvi
Research fellow
keywords:
Diagnosis of health and environmental challenges • Electrochemical and Colorimetric sensors • Metal, conductive
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Artur Nenov
Associate Professor
keywords:
multiconfigurational wavefunction methods, CASSCF/CASPT2, photochemistry, conical intersections, transient
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Silvia Orlandi
Assistant professor
keywords:
self-assembling materials, molecular modeling, computer simulations
Ivan Rivalta
Associate Professor
keywords:
Computational Chemistry, Theoretical Spectroscopy, Chemical and Photochemical Reactivity, Allosteric Mechanisms,
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Lucas Francisco Rodriguez Almeida
PhD Student
keywords:
DFT, Batteries, Artificial intelligence, Molecular solar thermal energy storage systems (MOST)
Filippo Tamassia
Associate Professor
Riccardo Tarroni
Associate Professor
Elisabetta Venuti
Full Professor