Exploration, Sampling, And Reconstruction of Free Energy Surfaces with Gaussian Process Regression

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 21, 2016
Source ID
10.1021/acs.jctc.6b00553

Entities

People

  • Gábor Csányi
  • Letif Mones
  • Noam Bernstein

Organizations

  • Engineering and Physical Sciences Research Council
  • United States Naval Research Laboratory
  • University of Cambridge