atoms

Physical chemistry

People

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Flavia Aleotti

Research fellow

Teaching tutor

keywords: Photoinduced processes, Non adiabatic dynamics, Computational modeling of molecular systems
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Francesco Calcagno

PhD Student

Research fellow

keywords: Computational chemistry, Chemical reactivity, Homogeneous catalysis, Ab-initio methods, Hybrid QM/MM methods, Simulated
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Elisabetta Canè

Assistant professor

keywords: high resolution infrared spectroscopy, Ro-vibrational energies of excited states for symmetric rotors, overtone IR
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Irene Conti

Senior assistant professor (fixed-term)

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Alberto Credi

Full Professor

keywords: nanoscience, molecular motor, binary logic, dendrimer, molecular machine, catenane, luminescence, nanoparticle, metal
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Silvia Cristofaro

PhD Student

Teaching tutor

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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
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Marco Giorgetti

Associate Professor

keywords: Batteries, Amperometric and potentiometric sensors, X-Ray Techniques, Metal hexacyanoferrates - Prussian Blue Analogs,
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Fabio Loprete

PhD Student

keywords: Periodic DFT, Chemical reactivity, Computational Catalysis, Computational Electrocatalysis, Hybrid Perovskites
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Luca Muccioli

Associate Professor

keywords: organic semiconductors, computer simulations, liquid crystals, thermally activated delayed fluorescence
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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: liquid crystals, molecular modeling, computer simulations
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Ivan Rivalta

Associate Professor

keywords: Computational Chemistry, Theoretical Spectroscopy, Chemical and Photochemical Reactivity, Allosteric Mechanisms,
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Filippo Tamassia

Associate Professor

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Riccardo Tarroni

Associate Professor

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Elisabetta Venuti

Full Professor