Sara Bonella

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sara.bonella@epfl.ch +41 21 693 19 79

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

+41 21 693 19 79
Office:  BCH 3102
EPFL > VPA > VPA-AVP-CP > CECAM > CECAM-GE

Web site:  Web site:  https://www.cecam.org/

+41 21 693 19 79
EPFL > SB > SB-SCGC > SCGC-ENS

Web site:  Web site:  https://www.epfl.ch/schools/sb/scgc/

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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

Teaching

Chemistry and Chemical Engineering

PhD Students

Baird Taylor James, Bertrand Jérémie Marc, Solís González Edrick, Troni Federica,

Courses

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.