Sara Bonella

BCH 3103 (Batochime UNIL)
Av. François-Alphonse Forel 3
1015 Lausanne

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Administrative data

Fields of expertise

Simulation and modelling of condensed phase systems, quantum and classical dynamics and statistical mechanics, adiabatic dynamics for classical polarizable models and first principles simulations, classical charge transport for systems in external magnetic fields.

Teaching & PhD


Chemistry and Chemical Engineering


Computational methods in molecular quantum mechanics

This course will discuss the main methods for the simulation of quantum time dependent properties for molecular systems. Basic notions of density functional theory will be covered. An introduction to simulating nuclear quantum effects for adiabatic and non adiabatic dynamics will be provided.