↓ Skip to Main Content

Dral's Group

Accelerating and improving computational chemistry with artificial intelligence/machine learning

Main Navigation

  • Group
  • About Pavlo
    • Contact and Legal Notice
    • Privacy Statement
    • Cookie Policy
  • People
  • Publications
  • Research
    • Semiempirical Methods
    • Machine Learning in Chemistry
    • Electronic Structure Calculations
  • Conferences
  • News & Posts
    • News
    • Posts
  • Internal Pages

Dral's Group

Accelerating and improving computational chemistry with artificial intelligence / machine learning

College of Chemistry and Chemical Engineering
Xiamen University

News & Posts

  • WS22 database, Wigner Sampling and geometry interpolation for configurationally diverse molecular datasets
    by Fuchun Ge
    March 9, 2023
  • Evaluating AIQM1 on Reaction Barrier Heights
    by Yaohuang Huang
    February 10, 2023
  • Explaining and Predicting Two-Photon Absorption with Machine Learning
    by Fuchun Ge
    February 7, 2023
  • 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

Artificial Intelligence / Machine Learning

MLatomDeveloping efficient machine learning-based methods for atomistic simulations using our package MLatom.
Read more ›

Featured News

EALAIQM1 paper is among top 25 most downloaded Nature Communications articles in chemistry and materials sciences published in 2021
Read more ›
© 2023 Dr. Pavlo O. Dral | Powered by Responsive Theme
 

Loading Comments...