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AI-enhanced computational chemistry | LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

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Dral's Group

AI-enhanced computational chemistry

College of Chemistry and Chemical Engineering, Xiamen University

LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

News & Posts

  • Meet OMNI-P2x — the First Universal ML Potential for Excited States!
    by Pavlo Dral
    May 14, 2025
  • Postdoc for AI-enhanced atomistic simulations in Dral’s group
    by Pavlo Dral
    January 15, 2025
  • Highlights of the Year 2024! Last Weekly Update?
    by Pavlo Dral
    December 25, 2024
  • ML-enhanced Fast and Interpretable Simulation of IR Spectra
    by Pavlo Dral
    November 8, 2024
  • Adv. Sci.: The Best DFT Functional Is the Ensemble of Functionals
    by Pavlo Dral
    October 30, 2024

Artificial Intelligence / Machine Learning

MLatomAI-enhanced computational chemistry with open-source MLatom available on XACS cloud (free for academic use).
We also provide a course on AI & computational chemistry

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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