Unified Approach to Enhanced Sampling

The sampling problem lies at the heart of atomistic simulations and over the years many different enhanced sampling methods have been suggested toward its solution. These methods are often grouped into two broad families. On the one hand, are methods such as umbrella sampling and metadynamics that b...

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Bibliographic Details
Main Authors: Michele Invernizzi, Pablo M. Piaggi, Michele Parrinello
Format: Article
Language:English
Published: American Physical Society 2020-11-01
Series:Physical Review X
Online Access:http://doi.org/10.1103/PhysRevX.10.041034

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