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Accelerating and improving computational chemistry with artificial intelligence/machine learning

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Dral's Group

Accelerating and improving computational chemistry with artificial intelligence / machine learning

College of Chemistry and Chemical Engineering
Xiamen University

News & Posts

  • Prof. Pavlo O. Dral joins the Editorial Board of the new journal “Artificial Intelligence Chemistry”
    by Yaohuang Huang
    January 4, 2023
  • Round up of 2022. What is 2023 bringing?
    by Pavlo Dral
    December 30, 2022
  • Open Master’s Positions in 2023
    by Yaohuang Huang
    December 5, 2022
  • New manual for MLatom@XACS
    by Pavlo Dral
    November 25, 2022
  • Welcome New Members of Our Group (2022)!
    by Yaohuang Huang
    November 7, 2022

Artificial Intelligence / Machine Learning

MLatomDeveloping efficient machine learning-based methods for atomistic simulations using our package MLatom.
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Featured News

EALAIQM1 paper is among top 25 most downloaded Nature Communications articles in chemistry and materials sciences published in 2021
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