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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 6000 researchers worldwide.

News

  • April 2020: Artem R. Oganov elected Fellow of the Royal Society of Chemistry (FRSC).
  • December 2019: Artem R. Oganov receives a grant from Huawei to design new materials.
  • November 2019: Artem R. Oganov receives a grant for leading scientific schools from the Ministry of Science and Higher Education.
  • September 2019: Artem R. Oganov receives Friendship Award of Chinese government.
  • May 2019: review “Structure Prediction Drives Materials Discovery” (Nature Reviews Materials) by Oganov, Pickard, Zhu, Needs.

Discoveries

For some of our discoveries of new materials and phenomena please see Research page.

People

Our lab develops novel methods for computational materials discovery, and applies them to a wide range of exciting scientific problems.

We invite all talented people to apply at any time. 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.

Each year we host many visiting researchers and students.