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A Stochastic Algorithm for the Isobaric-Isothermal Ensemble with Ewald Summations for All Long Range Forces

Michele Di Pierro1, Ron Elber2,3, Benedict Leimkuhler4

  • 1Center for Theoretical Biological Physics, BioScience Research Collaborative, Rice University , Houston, Texas 77030-1402, United States.

Journal of Chemical Theory and Computation
|December 1, 2015
PubMed

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