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Free Energy Surface Reconstruction from Umbrella Samples Using Gaussian Process Regression
Stecher, Thomas, Bernstein, Noam, Csányi, GáborVolume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct500438v
Date:
September, 2014
File:
PDF, 4.59 MB
english, 2014