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Nosé-Hoover Integrators at-a-Glance: Barostat Integration Has a Demonstrable Effect on Uniaxial Tension Results of

Thomas J Barrett1, Marilyn L Minus1

  • 1Mechanical and Industrial Engineering Department, Northeastern University, Boston, Massachusetts 02115, United States.

Journal of Chemical Theory and Computation
|January 3, 2025
PubMed

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