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Gaussian Mixture-Based Enhanced Sampling for Statics and Dynamics

Jayashrita Debnath1,2, Michele Parrinello1,2,3

  • 1Department of Chemistry and Applied Biosciences, ETH Zürich, c/o USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano, Switzerland.

The Journal of Physical Chemistry Letters
|June 9, 2020
PubMed

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