Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models

Document Details

Document Type
Pub Defense Publication
Publication Date
Mar 12, 2019
Source ID
10.1021/acs.jctc.9b00057

Entities

People

  • Aditya Nandy
  • Chenru Duan
  • Fang Liu
  • Heather J. Kulik
  • Jon Paul Janet

Organizations

  • Defense Advanced Research Projects Agency
  • National Science Foundation
  • Office of Naval Research

Tags

Technology Areas

  • AI & ML
  • AI & ML - Bayesian Inference
  • AI & ML - Neural Networks
  • Microelectronics