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19th ONLINE USPEX workshop (19th Lyakhov school) (No replies)

Vladimir Baturin
4 years ago
Vladimir Baturin 4 years ago

We are happy to announce the upcoming 19th workshop on crystal structure prediction with USPEX code which will be held ONLINE on 11-13 November 2020 organized by Prof. Artem R. Oganov and Dr. Vladimir Baturin (Skolkovo Institute of Science and Technology)

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.

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 6000 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.

This year our traditional workshop will be held in online format. The comprehensive lectures on the theoretical foundations of materials science and reports of the bleeding edge discoveries in our field will be followed by detailed tutorials from the developers of the USPEX code.

Practical details:

• Language: English
• Registration: the number of seats (albeit virtual) is limited. To apply for participation please fill in the application form
• Tentative program can be found here




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Ab initio (from electronic structure) calculation of complex processes in materials