Questions related to the amset electronic transport software. Bug reports should go directly to the GitHub Issues page.

Discuss the Materials Project, its website, data and infrastructure. The Materials Project is funded by the US Department of Energy, Basic Energy Sciences and additional partners.

General discussion of any topics related to materials science. Ask questions or share new or interesting research, including your own!

Questions related to the pymatgen materials analysis code. Bug reports should go directly to the GitHub Issues page.

Questions related to the matminer and automatminer materials data mining packages.

DL_POLY is a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory.

Questions related to the FireWorks high-throughput computing software and rocketsled, an optimization package for FireWorks. Bug reports should go directly to the GitHub Issues page.

Questions related to the GULP materials science software. GULP is a lattice dynamics package for the fitting of force fields and calculation of materials properties.

Questions related to the Atomate materials science software. Bug reports should go directly to the GitHub Issues page.

Questions related to the OVITO application software and the corresponding Python package. OVITO is a data visualization and analysis solution for particle-based simulations.

Discussion and questions related to the Open Knowledgebase of Interatomic Models (OpenKIM) including the online framework at openkim.org, contributing and using OpenKIM content (interatomic potentials, property calculations (tests), data, visualizers), the KIM API, and related topics. OpenKIM is funded by the US National Science Foundation.

The NOMAD Laboratory is a community-effort web-based platform for the FAIR sharing and utilization of materials-science data. It offers cutting-edge tools for collecting, storing, presenting, and analyzing these data.

Questions about the Matscholar website, Matscholar API, and mat2vec for data mining the scientific literature of materials with natural language processing (NLP).

The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperational by developing a common REST API.

hiPhive — High-order force constants for the masses