Ursula Röthlisberger

EPFL SB ISIC LCBC
BCH 4109 (Batochime UNIL)
Av. F.-A. Forel 2
1015 Lausanne

Web site:  Web site:  https://lcbc.epfl.ch

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Administrative data

Teaching & PhD

Teaching

Chemistry and Chemical Engineering

Courses

Molecular dynamics and Monte-Carlo simulation

Introduction to molecular dynamics and Monte-Carlo simulation methods.

Introduction to electronic structure methods

Repetition of the basic concepts of quantum mechanics and main numerical algorithms used for practical implementions. Basic principles of electronic structure methods:Hartree-Fock, many body perturbation theory, configuration interaction, coupled-cluster theory, density functional theory.

Project of Computational chemistry

This course exploits modern computational tools in a research project aiming at resolving a chemistry problem by group of two students.