↓ 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
Home › Posts tagged OM3

Tag: OM3

ODMx: New Consistent Semiempirical Methods

By Pavlo Dral Posted on February 28, 2019 Posted in Method Development, News, Semiempirical Methods No Comments Tagged with JCTC, ODM2, ODM3, ODMx, OM2, OM3, OMx, SQC

We have introduced two new NDDO-based semiempirical quantum-chemical methods ODM2 and ODM3, which are more consistent and accurate than other existing methods of this type.

News & Posts

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

Topics

  • Electronic Structure Calculations
  • Job Offers
  • News
    • Electronic Structure Calculations
    • Machine Learning in Chemistry
    • Method Development
    • Nanoelectronics
    • Semiempirical Methods
  • Posts
    • Ratings
    • Science & Society
  • Uncategorized

Subscribe via Email

Please subscribe to receive News & Posts

My Tweets
© 2023 Dr. Pavlo O. Dral | Powered by Responsive Theme