Category Topics

pymatgen

Questions related to the pymatgen materials analysis code. Bug reports should go directly to the GitHub Issues page.
81

DL_POLY

DL_POLY is a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory.
4

FireWorks

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.
230

Matminer

Questions related to the matminer and automatminer materials data mining packages.
117

GULP

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.
15

Materials Project

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.
231

Amset

Questions related to the amset electronic transport software. Bug reports should go directly to the GitHub Issues page.
9

Atomate

Questions related to the Atomate materials science software. Bug reports should go directly to the GitHub Issues page.
97

OVITO

Questions related to the OVITO application software and the corresponding Python package. OVITO is a data visualization and analysis solution for particle-based simulations.
9

Talk

General discussion of any topics related to materials science. Ask questions or share new or interesting research, including your own!
11

OpenKIM

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.
238

The Novel Materials Discovery (NOMAD) Laboratory

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.
3

LAMMPS

LAMMPS is a classical molecular dynamics code with a focus on materials modeling.
28929

Matscholar

Questions about the Matscholar website, Matscholar API, and mat2vec for data mining the scientific literature of materials with natural language processing (NLP).
3

OPTIMADE

The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperational by developing a common REST API.
0

hiPhive

hiPhive — High-order force constants for the masses
0