Theoretical chemist. Developing general workflows and solvation methods in Fortran and sporadically in Python.
- Bonn, Germany
Popular repositories Loading
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xtb
xtb PublicForked from grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
Fortran
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crest
crest PublicForked from crest-lab/crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
Fortran
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crest-docs
crest-docs PublicForked from crest-lab/crest-docs
https://crest-lab.github.io/crest-docs/
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