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
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
People
Publications
Research
Online Course
Conferences
News & Posts
- News
- Posts

Tag: JOC

Machine Learning in Chemistry

JOC: Surprising dynamics phenomena in the Diels–Alder reaction of C₆₀ uncovered with AI

Pavlo Dral Oct 17, 2024 Tagged with DFT, JOC, MLatom, publications, reaction, reaction mechanism

Recently, we published a paper in JOC about the surprising dynamics phenomena in the Diels–Alder reaction …

JOC: Surprising dynamics phenomena in the Diels–Alder reaction of C₆₀ uncovered with AI Read more →

Tag: JOC

JOC: Surprising dynamics phenomena in the Diels–Alder reaction of C60 uncovered with AI

JOC: Surprising dynamics phenomena in the Diels–Alder reaction of C₆₀ uncovered with AI