Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties

Document Details

Document Type
Pub Defense Publication
Publication Date
Feb 27, 2023
Source ID
10.1021/acs.jcim.2c01662

Entities

People

  • Andrew McNaughton
  • Anubhav Fnu
  • Carter Knutson
  • Jeremiah P. Malerich
  • Kevin J. Luebke
  • Neeraj Kumar
  • Peter B. Madrid
  • Rajendra P. Joshi

Organizations

  • Defense Advanced Research Projects Agency
  • Pacific Northwest National Laboratory
  • SRI International

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks
  • Quantum Computing