MaterialsAtlas App · DFT Calculation Tools

MLIP Molecular Dynamics Launcher

Run short MACE/CHGNet molecular dynamics from uploaded structures and analyze RDF, MSD, temperature, energy drift, and stability.

StatusAvailable

CategoryDFT Calculation Tools

App slugmlip-md-launcher

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About this app

Run short MACE/CHGNet molecular dynamics from uploaded structures and analyze RDF, MSD, temperature, energy drift, and stability.

MaterialsAtlas apps are browser-based materials science tools for composition checks, structure analysis, screening, prediction, visualization, and research workflows.