Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 24, 2018
Source ID
10.1021/acs.jctc.8b00636

Entities

People

  • Lixue Cheng
  • Matthew Welborn
  • Thomas Miller

Organizations

  • Air Force Office of Scientific Research
  • California Institute of Technology
  • Resnick Sustainability Institute for Science, Energy and Sustainability, California Institute of Technology
  • The Camille and Henry Dreyfus Foundation

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks
  • Microelectronics
  • Microelectronics - Graphene
  • Space