Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase Trans and Gauche Ethanol Conformers

Document Details

Document Type
Pub Defense Publication
Publication Date
Aug 11, 2022
Source ID
10.1021/acs.jctc.2c00760

Entities

People

  • Apurba Nandi
  • Chen Qu
  • Joel Bowman
  • Paul Houston
  • Qi Yu
  • Riccardo Conte

Organizations

  • Cornell University
  • Emory University
  • Georgia Tech
  • National Aeronautics and Space Administration
  • United States Department of Defense
  • University of Milan
  • Yale University

Tags

Technology Areas

  • AI & ML
  • Quantum Computing