Accurate Multiobjective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

Document Details

Document Type
Pub Defense Publication
Publication Date
Mar 11, 2020
Source ID
10.1021/acscentsci.0c00026

Entities

People

  • Chenru Duan
  • Heather J. Kulik
  • Jon Paul Janet
  • Sahasrajit Ramesh

Organizations

  • American Association for the Advancement of Science
  • Burroughs Wellcome Fund
  • Defense Advanced Research Projects Agency
  • Massachusetts Institute of Technology
  • Office of Basic Energy Sciences
  • Office of Naval Research

Tags

Technology Areas

  • AI & ML
  • AI & ML - Machine Learning Algorithms
  • AI & ML - Neural Networks
  • Space