↓ Skip to Main Content

Dral's Group

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

Main Navigation

  • Group
  • About Pavlo
    • Contact and Legal Notice
    • Privacy Statement
    • Cookie Policy
  • People
  • Publications
  • Research
  • Online Course
  • Conferences
  • News & Posts
    • News
    • Posts

Tag: SAMPL5

OMx Methods Score Well in Set from SAMPL5 Challenge

By Pavlo Dral Posted on January 6, 2017 Posted in News, Semiempirical Methods Tagged with DFT, OMx, QM/MM, SAMPL5, SQC

OMx methods have once again been shown to give as accurate results as DFT methods, but substantially faster.  The OM2 method has outperformed other semi-empirical methods and has essentially the same accuracy as BLYP for the distribution coefficient part of …

OMx Methods Score Well in Set from SAMPL5 Challenge Read more »

Copyright © 2025 Dr. Pavlo O. Dral | Powered by Responsive Theme
 

Loading Comments...