↓ 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
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)

Off Canvas Menu

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

Tag: dataset

Electronic Structure Calculations, Machine Learning in Chemistry, News

VIB5 database with accurate ab initio quantum chemical molecular potential energy surfaces

Lina Zhang Mar 14, 2022 Tagged with database, dataset, PES, publications, Sci. Data

We report global potential energy surfaces (PESs) database VIB5 of 5 molecules of astrophysical interest which …

VIB5 database with accurate ab initio quantum chemical molecular potential energy surfaces Read more →

Copyright © 2026 Dr. Pavlo O. Dral | Powered by Responsive Theme
Copyright © 2026 Dr. Pavlo O. Dral | Powered by Responsive Theme