Optimal allocation of computational resources based on Gaussian process: Application to molecular dynamics simulations

Document Details

Document Type
Pub Defense Publication
Publication Date
Feb 01, 2021
Source ID
10.1016/j.commatsci.2020.110178

Entities

People

  • Dmitry Bedrov
  • John Chilleri
  • Robert M. Kirby
  • Yanyan He

Organizations

  • United States Army Research Laboratory