Category Topics

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.
6

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.
7

Atomate

Questions related to the Atomate materials science software. Bug reports should go directly to the GitHub Issues page.
94

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.
222

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.
227

Talk

General discussion of any topics related to materials science. Ask questions or share new or interesting research, including your own!
10

pymatgen

Questions related to the pymatgen materials analysis code. Bug reports should go directly to the GitHub Issues page.
76

Amset

Questions related to the amset materials science software. Bug reports should go directly to the GitHub Issues page.
5

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.
236

Matminer

Questions related to the matminer and automatminer materials data mining packages.
112

DL_POLY

DL_POLY is a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory.
1

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