Berend Smit

photo placeholder image

berend.smit@epfl.ch +41 21 693 00 79

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

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

EPFL E EDCH-GE
BCH 3313 (Batochime UNIL)
Av. F.-A. Forel 2
CH-1015 Lausanne

Web site: Web site: https://go.epfl.ch/phd-edch

vCard
Administrative data

Teaching & PhD

Teaching

Chemistry and Chemical Engineering

PhD Programs

Doctoral Program in Chemistry and Chemical Engineering

Doctoral Program in Technology Management

Doctoral Program in Materials Science and Engineering

Courses

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.

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.

Computational methods in Chemistry and Chemical Engineering-Computational Carpentry and online materials

(Coursebook not yet approved by the section)

Computational method in Chemistry and Chemical Engineering-Molecular Simulation of Adsorption

(Coursebook not yet approved by the section)

Computational method in Chemistry and Chemical Engineering-Machine Learning

(Coursebook not yet approved by the section)

Computational method in Chemistry and Chemical Engineering-Data in Chemistry and Electronic Lab Notebooks

This course will have three components: Molecular Simulation, Electronic Laboratory Notebooks, and Machine learning. The focus of the course is applications to microporous materials (metal organic frameworks, zeolites, covalent organic frameworks) and is aimed at non-computational chemists.