USPEX

This software is under support tier 3!

Software description

USPEX (Universal Structure Predictor: Evolutionary Xtallography…and in Russian “uspekh” means “success” - owing to the high success rate and many useful results produced by this method) is a method developed by the Oganov laboratory since 2004. The problem of crystal structure prediction is very old and does, in fact, constitute the central problem of theoretical crystal chemistry. USPEX code solves this problem and allows to predict crystal structure with arbitrary P-T conditions by knowing only chemical composition of the material.

License

Note: you need a personal license in order to install and use USPEX, see e.g. this link. You can get help with the installation from NSC support, if needed.

Homepage: uspex-team.org/en

NSC documentation

Please make sure to read our documentation: USPEX