Efficient Wide-Range Calculation of Free Energies in Solids and Liquids using Reversible Scaling Molecular Dynamics

Moriarty, J A; Haskins, J B

doi:10.1103/PhysRevB.90.054113

Title: Efficient Wide-Range Calculation of Free Energies in Solids and Liquids using Reversible Scaling Molecular Dynamics

Journal Article · Tue Feb 25 00:00:00 EST 2014 · Physical Review B, vol. 90, no. 5, August 22, 2014, pp. 054113-1 to 054113-19

DOI:https://doi.org/10.1103/PhysRevB.90.054113· OSTI ID:1169257

Moriarty, J A; Haskins, J B

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: DE-AC52-07NA27344

OSTI ID:: 1169257

Report Number(s):: LLNL-JRNL-650743

Journal Information:: Physical Review B, vol. 90, no. 5, August 22, 2014, pp. 054113-1 to 054113-19, Journal Name: Physical Review B, vol. 90, no. 5, August 22, 2014, pp. 054113-1 to 054113-19

Country of Publication:: United States

Language:: English

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