Computational Chemistry

Lecture:

  • Potential Energy Surfaces
  • Molecular mechanics
  • Machine Learning models
  • Electronic structure calculations (Hartree-Fock, Density Functional Theory, Møller-Plesset, Coupled Cluster)
  • Simulation of molecules, materials, and interfaces
  • Perturbation Theory
  • Differentiable Chemistry

Exercise:

  • Brief introduction in the scripting language Python.
  • Implementation of Machine Learning models and electronic structure calculations in Python.
  • Introduction into automatic differentiation for (al-)chemical derivatives.
  • Numerical methods / algorithms related to the lecture contents.

Einführung in die Molekulare Biophysik für Nanostrukturwissenschaften

Einführung in die Molekulare Biophysik für Nanostrukturwissenschaften

Moodlekurs zu Seminar und Vorlesung

Grundlagen der Biologie für Nanostrukturwissenschaften

Molecular Physics and Spectroscopy I

Molecular Physics and Spectroscopy I is a graduate course, i.e., can be used to obtain credit points for the Master degree. This is the first of two courses (the second one usually given in the summer term). The topic of the course are the basics of molecular physic and molecular spectroscopy (e.g. rotational spectroscopy)


WiSe 2022/23 - Methods of Nanostructure Analysis (Fortgeschrittene Methoden der Nanostrukturanalyse)

WiSe 2022/23 - Synthesechemie I - OC-Praktikum

WiSe 2022/23 – Vorlesung Synthesechemie Ia