Logo

Links

My Current Institute

Group of Prof. Daniel Sebastiani
Martin-Luther-Universität Halle–Wittenberg

My Former Groups

Group of Prof. Barbara Kirchner (University of Bonn)
Group of Prof. Gerrit Schüürmann (UFZ Leipzig)

Organizations I am Member of

Gesellschaft Deutscher Chemiker (GDCh)
Arbeitsgemeinschaft Theoretische Chemie (AGTC)
Förderverein Chemie-Olympiade (FChO)

Useful Software Projects

CP2k
Open-source project to run ab initio molecular dynamics simulations.
ORCA
Program suite for electron structure calculations; free for academic use.
LAMMPS
Powerful freeware for performing force field molecular dynamics.
TRAVIS
Free software tool to analyze simulation trajectories.
Peacemaker
Performs quantum cluster equilibrium (QCE) calculations to predict properties of fluids.
Povray
Open-source raytracing software.
Packmol
Useful tool to create bulk phase simulation cells.
VMD
Visualizes simulation trajectories.
Avogadro
Drawing program for 3D molecular structures.

Assorted Links

Symposium on Theoretical Chemistry 2019
Will take place from 22. – 26. September 2019 in Rostock (Germany).
Symposium on Theoretical Chemistry 2018
Took place from 17. – 20. September 2018 in Halle/Saale (Germany).

Quick Links:

TRAVIS bqb Format