Introduction to Computational Chemistry


basic qualitative introduction to

  • force fields and molecular dynamics
  • everyday methods of electronic structure theory
  • practical aspects of quantum chemistry calculations

Course material
current organisational news
general organisational details (German version)
general organisational details (English version)
lecture contents (German version)
lecture contents (English version) (translation ongoing during the semester)

Übungsfolien SoSe 2019 (Stand: 04.07.19)
Folien zur Übung (Stand: 03.07.)

Dudle-Umfrage zum Computerchemie Minipraktikum (geschlossen) Das Minipraktikum findet am 17.6.2019 ab 17 Uhr im CIP Pool in der organischen Chemie statt.

Attention: Until winter semester 2017/18, this module was taught as chem503 in winter semesters. From summer 2018 onwards, it has been renamed to chem407 and will be taught in summer semesters. This is a measure to lower the teaching load in the 5th semester, as broadly requested by chemistry students.