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Course

CH-315: Modeling lab

Summary

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.

Lectures

Instructor

Berend Smit

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.

Official source

https://edu.epfl.ch/coursebook/en/modeling-lab-CH-315

Moodle Page

http://go.epfl.ch/CH-315

About this result

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Summary

Lectures

Instructor

Berend Smit

Official source

https://edu.epfl.ch/coursebook/en/modeling-lab-CH-315

Moodle Page

http://go.epfl.ch/CH-315

About this result

Ontological neighbourhood

Computer engineering

Hardware engineering: Microprocessors

Information engineering

Data science: Topics in data science

Research

Publishing: Topics in publishing

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