MaterialsAtlas Software and Tool

AIRSS

csprandom-structure-searchhigh-pressuredftsoftware-toolsmaterials-science-software

Visit resource Open in MaterialsAtlas Back to software and tool resources

Ab initio random structure searching method and toolkit for crystal structure prediction, high-pressure phases, surfaces, defects, molecular crystals, and candidate generation for DFT relaxation.

Citation: AIRSS. Materials science software/tool. https://www.mtg.msm.cam.ac.uk/Codes/AIRSS

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.

TypeSoftware and Tool

DomainCrystal structure prediction

LicenseFree academic/open

Contributorsmtg.msm.cam.ac.uk