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Administrative data

Sara Bonella

sara.bonella@epfl.ch +41 21 693 19 79

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

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.

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

PhD Students

Edrick Solís González, Thibault Kläy, Paula Sierra i Varela, Federica Troni

Past EPFL PhD Students

Jérémie Marc Bertrand, Taylor James Baird

Courses

Computational methods in molecular quantum mechanics

CH-452

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.

Non-equilibrium statistical mechanics simulations

PHYS-729

This course will introduce important results in non-equilibrium statistical mechanics and algorithms to compute properties out-of equilibrium. Coding exercises will deepen understanding of the formal results and provide insight in the physics of open systems.

Computational methods in molecular quantum mechanics Ch-452

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

https://edu.epfl.ch/coursebook/en/computational-methods-in-molecular-quantum-mechanics-CH-452

Non-equilibrium statistical mechanics simulations PHYS-729

This course will introduce important results in non-equilibrium statistical mechanics and algorithms to compute properties out-of equilibrium. Coding exercises will deepen understanding of the formal results and provide insight in the physics of open systems.

https://edu.epfl.ch/coursebook/en/non-equilibrium-statistical-mechanics-simulations-PHYS-729