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

University of Bonn

@paduagroup
Padua Group paduagroup
Ionic Liquids Group @ ENS de Lyon

Lyon, France

@leelasd
Leela S. Dodda leelasd
Drug Discovery@NimbusTx. Previously at VantAI & SiliconTx (Roivant companies). Yale@2018.

Yale University United States

@NFDI4Chem
NFDI4Chem NFDI4Chem
NFDI4Chem – Chemistry Consortium in the NFDI

Germany

@thunder-dft
FIREBALL2020 DFT Development Group thunder-dft
This is the group that develops the FIREBALL2020 DFT package. FIREBALL2020 is a complete rewrite of the FIREBALL package that originated in 2000.

Hong Kong

@vega
Vega vega
Data Visualization Languages & Tools
@numericalalgorithmsgroup
nAG numericalalgorithmsgroup

Oxford, UK

@open-watcom
Open Watcom V2 open-watcom
@wavefunction91
David Williams-Young wavefunction91

Microsoft Corporation (Microsoft Quantum) Redmond, WA

@CCP-NC
CCP-NC CCP-NC
The Collaborative Computational Project for NMR Crystallography
@deepmodeling
DeepModeling deepmodeling
Define the future of scientific computing together
@abinit
ABINIT abinit

Belgium

@genesis-release-r-ccs
genesis-release-r-ccs
@sabia-group
Simulations from Ab Initio Approaches Group sabia-group
Compilation of software developed at the SAbIA group

Max Planck Institute for the Structure and Dynamics of Matter

@yambo-code
Yambo yambo-code
Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics.
@theochem
Theochem theochem
QC-Devs: A community devoted to developing sustainable software for quantum chemistry, physics, and the computational sciences.
@molmod
Center for Molecular Modeling (CMM), Ghent University molmod
Technologiepark 46, 9052 Zwijnaarde, Belgium

Belgium

@PseudoDojo
PseudoDojo PseudoDojo
@DerekDardzinski
DerekDardzinski
@aims-ocl
aims-ocl
aims-ocl@outlook.com
@kthpanor
Patrick Norman kthpanor

KTH Royal Institute of Technology Stockholm

@zorkzou
Wenli Zou zorkzou

Northwest University China

@JuDFTteam
JuDFTteam JuDFTteam
JuDFTteam is the GitHub home of the quantum materials simulation codes and toolkits developed by the division Quantum Theory of Materials at FZ Jülich.
@alejandrogallo
Alejandro Gallo alejandrogallo
mastodon: https://masto.ai/@cadr

Technical University of Vienna Vienna

@zhangyingfeng1993
zhangyingfeng1993
@filippi-claudia
filippi-claudia
@pranabdas
Pranab Das pranabdas

National University of Singapore Singapore

@sileshn
Silesh K Nair sileshn
Forza Ferrari...

127.0.0.1

@xinntao
Xintao xinntao
Researcher at Tencent ARC Lab, (Applied Research Center)

Tencent Shenzhen, China

@radi0sus
Sebastian Dechert radi0sus
@simonpintarelli
Simon Pintarelli simonpintarelli

@eth-cscs

@aoleynichenko
Alexander Oleynichenko aoleynichenko
quantum chemistry, C/C++ programming, linux

Petersburg Nuclear Physics Institute named by B. P. Konstantinov of NRC «Kurchatov Institute» Gatchina, Russia

@kousuke-nakano
kousuke-nakano
Studying ab initio Quantum Monte Carlo (QMC) and its application. Staff Scientist at NIMS and RIKEN, Japan.

National Institute for Materials Science Tsukuba/Japan

@AdrianAntico
Adrian Antico AdrianAntico
Open-source quantitative modeling and automation in R & Python

Phoenix, AZ

@dralgroup
Pavlo O. Dral & group dralgroup
Expert in AI-enhanced computational chemistry

Xiamen University Xiamen, China

@jcerezochem
Javier Cerezo jcerezochem

Universidad de Murcia Murcia, Spain

@OpenEthan
Ethan OpenEthan
一個來自 HongKong 嘅中四學生。 呢個號係新號，私聊可以加我fb

仁愛堂陳黃淑芳紀念中學 Yan Oi Tong Chan Wong Suk Fong Memorial Secondary School HongKong

@X-Lucifer
Lucifer X-Lucifer

Shanghai , China

@iris-theof
Iris Theophilou iris-theof
Computational Physicist, Data Scientist

Risk.Ident GmbH Hamburg

@FermiQ
fermiq FermiQ
Im an InterGalactic Dust Particle; hanging on a Limited LifeSpan; anticipating a LightYr. old Ray of Luv 2 Consummate me with QFT; QT; QC; & Mode Collapsing AMI

Science Neutrino

@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

@HumanOsv
Osvaldo Yañez Osses HumanOsv
I have great interest in global optimization techniques for molecules, solids, and clusters are numerous and can be algorithmically elegant.

Chile

@pernalk
pernalk
@jautschbach
Jochen Autschbach jautschbach

Buffalo, NY, USA

@zachglick
Zach Glick zachglick
Co-founder @lavolifesciences. Former PhD student of @cdsgroup. Machine learning, quantum chemistry, & scientific software development.

Lavo Life Sciences Atlanta, GA

@jvalegre
Juanvi Alegre-Requena jvalegre
@spec-org
SPEC spec-org
@caizefeng
Zefeng Cai caizefeng

Carnegie Mellon University Pittsburgh, PA

@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