Release of the USPEX code version 9.3.4 is now available. All previous versions are obsolete.

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 choose the 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 method/code solves this problem and is used by over 4000 researchers worldwide.

News

  • 07 April 2018: A.Kvashnin, Z.Allahyari, A.Samtsevich and A.Oganov won in the 2017 RSF competition with project titled: "Computational design of new materials with optimal hardness and crack resistance properties".
  • 22 March 2018: Ivan Kruglov won a RFBR grant with project titled: "Development of machine learning interatomic potentials"
  • 12 February 2018: A. Kvashnin and D.Semenok won a grant in UMNIK programe with project titled: "Light Elements: superconducting ternary systems with light atoms"
  • 11 September 2017: Artem R. Oganov is elected member of Academia Europaea
  • 08 September 2017: Alexander G. Kvashnin gives an invited lecture at EHPRG conference

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 choose the 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.