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@openrsp @CPMD-code @OpenCPMD

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@sharc-md
SHARC sharc-md
Surface Hopping including Arbitrary Couplings developed by the González group

Vienna

@pfloos
Pierre-Francois Loos pfloos
CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states

CNRS & Université Paul Sabatier Toulouse, France

@RagnarB83
RagnarB83
Ragnar Bjornsson Computational chemist

LCBM, CEA Grenoble

@MolSSI
The Molecular Science Software Institute MolSSI
A nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. [MolSSI]
@dftd4
DFT-D4 dftd4
A Generally Applicable Atomic-Charge Dependent London Dispersion Correction.
@grimme-lab
Grimme lab grimme-lab
Quantum chemistry software - Made in Bonn.

University of Bonn

@cupy
CuPy cupy
NumPy & SciPy for GPU
@recoli
Xin Li recoli

KTH Royal Institute of Technology Stockholm, Sweden

@Fortran-FOSS-Programmers
Fortran F/OSS Programmers Group Fortran-FOSS-Programmers
A space to collaborate on new open source Fortran and Fortran related projects

Planet Earth

@openmm
OpenMM openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code
@adc-connect
adc-connect
Seamlessly connect your program to ADC
@openforcefield
Open Force Field Initiative openforcefield
An open source, open science, and open data approach to better force fields
@lammps
LAMMPS Developers lammps
Development of the LAMMPS Molecular Dynamics Simulator and Related Projects

United States of America

@OpenCPMD
OpenCPMD OpenCPMD
OpenCPMD is a community of developers and users of the CPMD program that formed after it was made freely available under the MIT license in 2022.
@TinkerTools
TinkerTools TinkerTools
TinkerTools is a suite of software packages for molecular modeling & simulation. Visit our community website for users and developers at "tinkertools.org".
@Molecolab-Pisa
MoLECoLab Molecolab-Pisa
MoLECoLab (Modeling Light & Environment in Complex Systems) is a research group at the Department of Chemistry of the University of Pisa.

Italy

@NWChemEx
NWChemEx Community NWChemEx
Dedicated to developing high-performance, modular, scientific software by leveraging NWChemEx's infrastructure.

United States of America

@GHlacour
Thomas la Cour Jansen GHlacour

University of Groningen The Netherlands

@DavidCdeB
David Carrasco de Busturia DavidCdeB
Marie Skłodowska-Curie Postdoctoral Fellow at KTH, Royal Institute of Technology
@charnley
Jimmy C. Kromann charnley
Background in Quantum chemistry, cheminformatics, and machine learning. Working as a data scientist and software engineer in the pharmaceutical industry.

Pharma Industry Switzerland

@mortele
Morten Ledum mortele
Senior software engineer at the Hylleraas Centre for Quantum Molecular Sciences.

University of Oslo Oslo

@maxscheurer
Maximilian Scheurer maxscheurer

@merckgroup Frankfurt am Main

@zbeekman
Izaak "Zaak" Beekman zbeekman
Aerospace Engineer🚀 @Fortran-FOSS-Programmers founder former @Homebrew maintainer🍎 Employed by @ParaToolsInc @sourceryinstitute member Pronouns: he/him

@ParaToolsInc Newton, MA

@erikkjellgren
Erik Kjellgren erikkjellgren
Postdoc researcher in theoretical chemistry and quantum computing at University of Southern Denmark.

SDU Campusvej 55, 5230 Odense M, Denmark

@robertodr
Roberto Di Remigio Eikås robertodr
Head of Product Engineering @Algorithmiq | Quantum chemist

@Algorithmiq Oslo

@bast
Radovan Bast bast
Theoretical chemist turned research software engineer.

@coderefinery Tromsø, Norway

@jeffhammond
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

@cstein
Casper Steinmann cstein
Associate Professor of Computational Chemistry at Aalborg University. Maintainer of @steinmanngroup

Aalborg University Aalborg, Denmark