Code & Platform · CMSG

CMSG Code

D3REAMAn open platform for crystal-structure prediction and materials discovery. CMSG repositoriesBrowse the group’s code, analysis tools, and reproducible research workflows. CMSG data & analysisScripts and utilities for structure analysis, phonons, thermal expansion, and materials data.

Essential Tools

Databases

Materials ProjectComputed structures, energies, and properties for inorganic materials. ICSDA curated database of inorganic crystal structures from the literature. AFLOWHigh-throughput computational materials data and thermodynamic properties. NOMADOpen repository for sharing, exploring, and reusing materials-science data.

Visualization & Software

VESTAInteractive visualization and analysis of crystal structures and volumetric data. OVITOVisualize, inspect, and analyze molecular-dynamics trajectories and particle data.