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Theoretical Scientist; PhD student at the Mulliken Center for Theoretical Chemistry
Highlights
- Pro
PyTorch Autodiff Implementations by @grimme-lab
tad-mctc
Collection of fully differentiable versions of projects from the Grimme group
Germany
GAMESS Development
gms-bbg
The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package.
Ames, IA
Mobley Lab at UC Irvine
MobleyLab
Binding free energies, molecular interactions, solvation thermodynamics, and statistical mechanics of biomolecules
University of California, Irvine
Hagen Neugebauer
haneug
Theoretical chemist, programming in Fortran, C++, and Python
@grimme-lab Bonn, Germany
Marcel Mueller
marcelmbn
Computational chemist in the @grimme-lab working on SQM and DFT method development.
@grimme-lab Bonn
Christoph Plett
cplett
Theoretical chemist. Developing general workflows and solvation methods in Fortran and sporadically in Python.
@grimme-lab Bonn, Germany
Thomas Froitzheim
thfroitzheim
PhD Student Theoretical Chemistry in the @grimme-lab
University of Bonn
Sebastian Ehlert
awvwgk
Theoretical chemist, computational chemistry researcher, developing quantum chemistry in Fortran, Python and C++, packaging scientific software.
Microsoft Research, AI for Science Amsterdam, Netherlands
Jan-Michael Mewes
drmewes
Computational Chemist with pragmatic development skills
Bonn University Bonn