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 8500 researchers worldwide.
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?
News
- October 2023: New release of USPEX code (v. 2023.0.3).
- June 2023: New release of USPEX code (v. 2023.0.2). An official collaboration between Skoltech and Phenikaa university (Vietnam) with active participation of Materials Discovery Laboratory is established.
- May 2023: New release of USPEX code (v. 2023.0.1). The China-Russia International Symposium on Crystallography of Materials 2023 anounced to take place in Urumqi (China) on 14-17 August 2023, please register at: crcm2023.casconf.cn.
- December 2022: The materials of our online course "Materials design and thermoelectric materials" (mostly in Russian) are available on our site.
- November 2022: New release of USPEX code (v. 2022.1.0). 21st USPEX workshop successfully held in Isfahan, Iran. Artem R. Oganov included in the list of Highly Cited Researchers (Web of Science).
- September 2022: T. Fan and D. Semenok have defended their PhD theses. Registration for the online course "Materials design and thermoelectric materials" has been opened.
- August 2022: 21st USPEX workshop announced to take place in Isfahan (Iran) on 17-21 November 2022, please register at: https://qsm.iut.ac.ir/workshop-iut-uspex.
- 2020-2022: Many major papers (please consult "Publications" page) and other advances.
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.