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@jax-ml
jax-ml jax-ml
Pushing back the limits on numerical computing.
@jensengroup
Jensen Group jensengroup
Jan H. Jensen Research Group of the Department of Chemistry, University of Copenhagen

University of Copenhagen

@foxtran
foxtran foxtran
Ahead of the Future

Budapest, Hungary

@grimme-lab
Grimme lab grimme-lab
Quantum chemistry software - Made in Bonn.

University of Bonn

@ElectronicStructureLibrary
Electronic Structure Library ElectronicStructureLibrary
Common libraries for the electronic structure community. Note that the main site for the ESL repositories is https://gitlab.com/ElectronicStructureLibrary.
@vnquanvuong
Van-Quan Vuong vnquanvuong

Karlsruhe Institute of Technology

@fortuno-repos
Fortuno repositories fortuno-repos
Organisation account for Fortuno repositories
@susilehtola
Susi Lehtola susilehtola
Theoretical physics PhD working in computational / quantum chemistry.

University of Helsinki Helsinki, Finland

@bhourahine
Ben Hourahine bhourahine
Background: semiconductor defects. Interests include: electronic structure methods, light and electron scattering, statistical mechanics, correlated electrons.

The University of Strathclyde Glasgow, Scotland

@aradi
Bálint Aradi aradi
Computational physicist focusing on scientific software development, quantum mechanical atomistic simulations & machine learning

University of Bremen Bremen, Germany

@vanderhe
Tammo van der Heide vanderhe
PhD in Theoretical Physics; Computational Materials Science, Scientific Programming in Modern Fortran and Python

University of Bremen Bremen, Germany

@dftbplus
DFTB+ developers group dftbplus
Various projects related to the DFTB+ software package
@jhrmnn
Jan Hermann jhrmnn
Computational chemistry & physics, electrons, deep learning

@microsoft Berlin, Germany

@awvwgk
Sebastian Ehlert awvwgk
Theoretical chemist, computational chemistry researcher, developing quantum chemistry in Fortran, Python and C++, packaging scientific software.

Microsoft Research, AI for Science Germany