Links

My Current Institute

Group of Prof. Daniel Sebastiani

Martin-Luther-Universität Halle–Wittenberg

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My Former Groups

Group of Prof. Barbara Kirchner (University of Bonn)

Group of Prof. Gerrit Schüürmann (UFZ Leipzig)

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Organizations I am Member of

Gesellschaft Deutscher Chemiker (GDCh)

Deutsche Bunsen-Gesellschaft (DBG)

Arbeitsgemeinschaft Theoretische Chemie (AGTC)

Förderverein Chemie-Olympiade (FChO)

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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.

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STC Conferences

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).

Symposium on Theoretical Chemistry 2017 Took place from 21. – 25. August 2017 in Basel (Switzerland).

Symposium on Theoretical Chemistry 2016 Took place from 26. – 29. September 2016 in Bochum (Germany).

Symposium on Theoretical Chemistry 2015 Took place from 20. – 24. September 2015 in Potsdam (Germany).

Symposium on Theoretical Chemistry 2014 Took place from 14. – 18. September 2014 in Wien (Austria).