This is a list of materials science software, including programs used for modeling, simulation, and analysis of materials at electronic, atomistic, mesoscopic, and continuum scales.
Density functional theory (DFT) and electronic-structure codes
Molecular dynamics (MD)
Kinetic Monte Carlo / mesoscopic modeling
Phase-field and microstructure evolution
Finite-element / continuum materials simulation
Crystallography, diffraction, and materials analysis
See also
Crystallography Open Database Computational materials science Modelling and Simulation in Materials Science and Engineering Multiscale modeling List of computational physics software List of computational chemistry software List of emerging materials science technologies List of materials science journals
External links AFLOW – automatic framework for high-throughput materials discovery Materials Cloud – platform for computational materials data and workflows
References