Links

Materials Databases

• Materials Project (MIT & LBNL, USA)
• AFLOW (Duke University, USA & others)
• Open Quantum Materials Database (Northwestern University, USA)
• ASM Alloy Phase Diagrams Database (ASM Materials Information)
• NOMAD Repository

Materials Tools

• Python Materials Genomics (pymatgen)
• Automated Interactive Infrastracture and Database for Computational Science (AiiDA)
• Atomistic Simulation Environment (ASE)

Other Machine-Learning-Potential Codes

• Gaussian Approximation Potential (GAP) (Cambridge University, UK)
• ANN potential by Peterson Group (Brown University, USA)
• ANN potential by Behler Group (Ruhr-University Bochum, Germany)