Computational Chemistry

Mathematical Aspects of Computational Chemistry (MathChem), SS 2016

Prof. Dr. B. Stamm

A class for students of CES, Mathematics, Chemistry and Physics 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 empirical and macroscopical models such as force-field models and solvation models.


The structure of the class will be 2 hours of lectures every week (starting April 11th) 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, 14:15 - 15:45, in 1090(Rogowski)|328
Tutorial: bi-weekly Thursdays, 10:15 - 11:45, in 1090(Rogowski)|328
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 4 ECTS points to earn partly with collecting homework points and an oral exam of 30min.

Please register with the L2P-Room, available at RWTH E-Learning. See also the CAMPUS Information.

Last modified: 2016/09/06 22:00