Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 30, 2020
Source ID
10.1021/acs.jctc.0c00535

Entities

People

  • Debasish Koner
  • Markus Meuwly

Organizations

  • Air Force Office of Scientific Research
  • Swiss National Science Foundation
  • University of Basel