Berend Smit

EPFL Valais Wallis
Rue de l'Industrie 17
Case postale 440
1951 Sion

Web site:  Web site:

Administrative data

Teaching & PhD


Chemistry and Chemical Engineering


Modeling lab

In this course we give a hands-on introduction on the use of modeling and data in chemistry. After an introduction in the different tools used by computational chemists, we discuss three topics in more detail molecular simulation of adsorption, data in chemistry, and machine learning.

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.

Understanding advanced molecular simulation

This course introduces advanced molecular simulation techniques such as Monte Carlo and Molecular dynamics in different ensembles, free energy calculations, rare events, Configurational-bias Monte Carlo etc.

AI in chemistry and beyond: Success stories

(Coursebook not yet approved by the section)