Math. Comput. Chem.

Mathematical Aspects of Computational Chemistry SS 2021

Lecturer: Prof. Dr. B. Stamm
Assistant: Michael Herbst

A class for students of Mathematics, CES, Simulation Sience, Chemistry and Physics students as well as everybody interested.


Computational chemistry repeatedly uses mathematical concepts in the modelling and the following discretization of the models. We present some models of theoretical chemistry from a mathematical perspective. Topics include electro-static interaction of molecular systems, the passage from classical to quantum mechanics, an introduction to quantum mechanics and the Hartree-Fock model as well as its discretization. If time permitting, we will also study some aspects of the Density Functional Theory (DFT).


The structure of the class will be 2 hours of lectures every week (starting April 12) and 2 hour of tutorial every second week. First tutorial class is on April 21th.

The preliminary times for lectures and tutorials are given below.
Lecture: Mondays, 14:30 - 16:00 (in Zoom)
Tutorial: bi-weekly Tuesdays, 16:30 - 18:00 (in Zoom)
The detailed schedule is presented on RWTH online. Please consider that I might change the lecture and/or tutorial times so that everybody can attend the class. So even if these dates are not suitable for you, please try to make it to the first session or send an email in advance to Prof. Dr. Stamm.

There are 5 ECTS points to earn partly with collecting homework points and an oral exam of 30min.

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Last modified:: 2022/04/11 09:38