Free Energy Surface Reconstruction from Umbrella Samples Using Gaussian Process Regression

Document Details

Document Type
Pub Defense Publication
Publication Date
Aug 12, 2014
Source ID
10.1021/ct500438v

Entities

People

  • Gábor Csányi
  • Noam Bernstein
  • Thomas Stecher

Organizations

  • European Commission
  • Office of Naval Research
  • University of Cambridge