A workshop on "Modern trends in Computational Materials Discovery", November 17-21, 2022


The activity is a joint workshop with the USPEX team and the physics department of Isfahan University of Technology (IUT). This workshop aims to provide computational methods for discovering new materials and,  ab initio predicting material properties. This program contains scientific lecture sessions in the morning and workshop sessions in the afternoon. The dominant part of the time of the workshops is devoted to teaching the USPEX code by the USPEX team. USPEX code is one of the most successful packages in predicting new material structures with specific properties, which works based on evolutionary algorithms. The scientific lectures would cover the following subjects:

  • DFT and electronic structure
  • Machine learning and Data science
  • Novel material properties
  • Magnetic materials
  • Evolutionary algorithm and global optimization
  • Materials discovery and design


enlightenedImportant Dates:

Deadline online registration: September 30, 2022

Conference dates: November 17-21, 2022

enlightenedConfirmed Invited Speakers

  • Mojtaba Alaei, IUT, Iran
  • Zahed Allahyari, Skoltech, Russia
  • Gustav Bihlmayer, Fritz-Haber Institute, Germany
  • Stefano de Gironcoli, SISSA, Italy
  • Sergey Levchenko, Skoltech, Russia
  • Mehdi Neek-Amal, SRTTU, Iran
  • Artem R. Oganov, Skoltech, Russia
  • Matthias Scheffler, Fritz-Haber Institute, Germany
  • Sandro Scandolo, ICTP, Italy
  • Alexandre Tkatchenko, Uni. of Luxembourg, Luxembourg


For further information please visit: https://qsm.iut.ac.ir/workshop-iut-uspex




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