Computational Materials Discovery Laboratory

Our lab develops novel methods for computational materials discovery, and applies them to a wide range of exciting scientific problems. Positions in the lab are extremely competitive and we select the brightest young talents and nurture them. We use some of the world's most powerful supercomputers, and our lab has its own supercomputer. Importantly, we have developed unique computational codes and use state-of-the-art visualization tools. Each year we host many visiting researchers and students.

What is USPEX?

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. Nowdays, it is used by over 7600 researchers worldwide.

Join USPEX@HOME

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Project USPEX@HOME was restarted.
The project is currently in beta testing.

Currently, tasks are available for nodes that meet the following criteria:
Windows 7+ OS;
VirtuaBox 6.1.34+;
Hardware virtualization;
8+ GB RAM.

USPEX team:
https://uspex-team.org/en

Bridge from USPEX to BOINC:
https://uspex-team.org/static/file/Khrapov_2017_2.pdf

Scientific topics of computing:
https://uspex-at-home.ru/prediction/download/crystals-13-00756-v3.pdf
23 Oct 2022, 12:40:26 UTC · Discuss

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