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Tim Würger's Projects

badervis icon badervis

Tool to analyze the charge evolution in a reaction pathway as derived from the nudged elastic band (NEB) method in VASP

exchem icon exchem

Tool to search vast areas of chemical space for magnesium dissolution modulators.

interactivemd icon interactivemd

Patch to implement periodic boundary conditions in the for the "Interactive Molecular Dynamics" tool written by Daniel V. Schroeder.

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