Computational and theoretical chemistry

The study of physical and chemical processes at a molecular and supramolecular level, including reactions mechanisms, with quantum mechanical, classical mechanical and statistical thermodynamical tools.

Research groups

Projects

Research labs
- Computational chemistry lab

People

Silvia Alessandrini

Research fellow

Teaching tutor

keywords: astrochemistry, intermolecular interactions, computational modelling, computational chemistry

Riccardo Amorati

Associate Professor

keywords: free radicals, radical kinetics, nanoantioxidants, antioxidants

Matteo Calvaresi

Associate Professor

keywords: Nanotechnology, Nanomedicine, Carbon nanoparticles, Bioconjugation Techniques, Computational Chemistry

Luca Evangelisti

Associate Professor

keywords: Rotational spectroscopy, Molecular structure, Molecular modeling, Cheminformatics

Daniele Fazzi

Associate Professor

Assimo Maris

Associate Professor

keywords: Spectroscopy, Molecular modeling, Molecular structure, Intra- and inter- molecular large amplitude motions, Molecular

Mattia Melosso

Junior assistant professor (fixed-term)

keywords: Molecular spectroscopy, Interstellar molecules, Rotational and ro-vibrational spectra, Flash vacuum pyrolysis,

Fabrizia Negri

Full Professor

keywords: computational chemistry, quantum-chemical methods, kinetic monte carlo, organic semiconductors, charge transport,

Marco Severi

Research fellow

Teaching tutor

keywords: theoretical chemistry, light-matter interactions, cavity QED, electrostatic catalysis

Computational and theoretical chemistry

Research groups

Projects

Research labs

People