PyTorch Autodiff Implementations by @grimme-lab
tad-mctc
Collection of fully differentiable versions of projects from the Grimme group
Germany
Jeff Hammond
jeffhammond
HPC software @NVIDIA in 🇫🇮. Previously @intel HPC, @argonne-lcf w/ Blue Gene and MPI. PhD in Chemistry from @uchicago for work on @nwchemgit. He/him/hän.
@nvidia Helsinki, Finland
Sebastian Ehlert
awvwgk
Theoretical chemist, computational chemistry researcher, developing quantum chemistry in Fortran, Python and C++, packaging scientific software.
Microsoft Research, AI for Science New York, United States
Susi Lehtola
susilehtola
Theoretical physics PhD working in computational / quantum chemistry.
University of Helsinki Helsinki, Finland
David Poole
davpoolechem
I live at the intersection of Physical Chemistry Road, Mathematics Street, and Software Engineering Avenue.
Georgia Institute of Technology Atlanta, Georgia
Geoff Hutchison
ghutchis
Creator and developer of @Avogadro @openbabel and @PittQuantumRepository
University of Pittsburgh, Department of Chemistry Pittsburgh, PA, USA
Seth Martin
scmartin
I am an Assistant Professor at the University of Saint Mary. My research interests are theory and modeling of interfaces and electrolytic systems.
University of Saint Mary
Zeke A. Piskulich
piskuliche
NSF GRFP and Lindau Alum. Postdoctoral Associate at Rutgers University in the York Group. Codes are from KU, BU, and RU.
Cambridge, MA