Skolkovo Institute of Science and Technology, Moscow

15th Workshop on Crystal Structure Prediction with USPEX Code#

Date: 17-19 September 2018
Venue: Skolkovo Institute of Science and Technology, Moscow, Russia


Artem R. Oganov and V.S. Baturin
The workshop is funded by Skoltech and Hubert Curien Fund of Academia Europaea.

Crystal structure prediction has long remained a major unsolved problem in physical sciences. A number of approaches have been formulated over years. Crystal structure prediction is a powerful tool for designing new materials "in silico", thus replacing the traditional Edisonian trial-and-error approach with design by artificial intelligence. It is also a major instrument for discovering new phenomena at extreme conditions. Crystal structure prediction should thus be an everyday tool at the hands of nearly every computational materials scientist.

A major advance in this field happened with the development of the evolutionary algorithm USPEX for crystal structure prediction, which has led to a number of important discoveries. This proved to be a very efficient and reliable method, and the USPEX code, based on it and freely distributed to academic scientists, is currently used by over 4300 researchers worldwide and this number grows rapidly. We should note that in addition to the evolutionary structure prediction, USPEX code features many other techniques (random sampling, metadynamics, minima hopping, particle swarm optimization) and familiarity with this code will give solid background in many structure prediction techniques. Through a regular series of such pedagogical events we want to train a new generation of materials scientists.

Practical details:#

  • Registration fees: none. All participants book their own travel tickets and hotel. We may suggest hotels and assist with reservation. We will also help with visa application
  • Language: English.
  • Registration: The number of seats is limited. To participate in the workshop, please send your CV to
    Registration deadline is 15 July 2018. We will select the most qualified applicants and invite them to the workshop. Knowledge of crystallography, solid state physics, theoretical chemistry, or materials science is mandatory.
  • The workshop will be held at Skoltech, a new top-level international university located in Moscow. This will give you an opportunity to discover Moscow, one of the most breathtaking cities in the world, with incredible cultural heritage. For a glimpse of Moscow, see

Artem R. Oganov
Artem R. Oganov

V.S. Baturin
V.S. Baturin


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