Berend Smit

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

Current work

Berend Smit's research focuses on the application and development of novel molecular simulation techniques, with emphasis on energy related applications. Together with Daan Frenkel he wrote the textbook Understanding Molecular Simulations and together with Jeff Reimer, Curt Oldenburg, and Ian Bourg the textbook Introduction to Carbon Capture and Sequestration.
Berend Smit received an MSc in Chemical Engineering in 1987 and an MSc in Physics both from the Technical University in Delft (the Netherlands). He received in 1990 cum laude PhD in Chemistry from Utrecht University (the Netherlands). He was a (senior) Research Physicists at Shell Research from 1988-1997, Professor of Computational Chemistry at the University of Amsterdam (the Netherlands) 1997-2007. In 2004 Berend Smit was elected Director of the European Center of Atomic and Molecular Computations (CECAM) Lyon France. Since 2007 he is Professor of Chemical Engineering and Chemistry at U.C. Berkeley and Faculty Chemist at Materials Sciences Division, Lawrence Berkeley National Laboratory. Since 2014 he has been director of the Energy Center at EPFL.

Teaching & PhD

PhD Students

Anastasia Blokhina, Beatriz Bueno Mouriño, Seyed Amirmohammad Elahi, Xin Jin, Raluca-Ana Kessler, Yutao Li

Past EPFL PhD Students

Samantha Lynn Anderson (2019), Arunraj Chidambaram (2020), Fatmah Ebrahim (2021), Andrzej Gladysiak (2019), Kevin Maik Jablonka (2023), Stavroula Kampouri (2020), Sauradeep Majumdar (2024), Seyedmohamad Moosavi (2020), Elias Moubarak (2024), Balázs Álmos Novotny (2025), Daniele Ongari (2019), Andres Adolfo Ortega Guerrero (2021), Nency Patricio Domingues (2026), Miriam Jasmin Pougin (2024), Fatma Pelin Uran (2021), Bardiya Valizadeh (2020)

Past EPFL PhD Students as codirector

Serhii Shyshkanov (2020)

Courses

Modeling lab

CH-315

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

CH-359

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

CH-420

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.