Generating Cocrystal Polymorphs with Information Entropy Driven by Molecular Dynamics-Based Enhanced Sampling

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 03, 2020
Source ID
10.1021/acs.jpclett.0c02647

Entities

People

  • Adam J. Matzger
  • Hongxing Song
  • Leslie Vogt
  • Mark E Tuckerman
  • Ren A Wiscons

Organizations

  • Army Research Office
  • National Science Foundation Directorate for Mathematical & Physical Sciences
  • New York University
  • New York University Shanghai
  • University of Michigan