CECAM (Centre Européen de Calcul Atomique et Moléculaire)

​

PSI-K Electronic Structure Calculations Community

​

European Theoretical Spectroscopy Facility

​

European Materials Modeling Council

​

Computational Chemistry List

​

CCP9 UK ab-initio community

​

List of computational chemistry software

​

Scientific Computing

​

Scientific Computing World

​

SIAM (Society for Industrial and Applied Mathematics)

​

Goldbeck Consulting

​

The NOMAD Laboratory

​

MAX European Centres of Excellence

​

The AIIDA Project

​

AFLOW distributed materials property repository

​

The Materials Project

​

Materials Cloud

​

The Open Quantum Materials Database

​

PubChem Chemical Data Repository

​

Open Babel: The Open Source Chemistry Toolbox

​​​

NanoHUB

​

Materials Genome Initiative

​

Atomic Simulation Environment

​

The Cambridge Crystallographic Data Centre (CCDC)

​

NAFEMS: International Association Engineering Modelling

​

List of quantum chemistry and solid-state physics software

​

List of software for molecular mechanics modeling

​

List of molecular graphics software

​

List of numerical-analysis software

​

List of numerical libraries

​

​

​

​