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Natalie P Schieber

Showing results (1-10 of 3) with videos related to

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The Journal of Chemical Physics|May 3, 2019
Configurational mapping significantly increases the efficiency of solid-solid phase coexistence calculations via molecular dynamics: Determining the FCC-HCP coexistence line of Lennard-Jones particlesNatalie P Schieber, Michael R Shirts
Journal of Chemical Theory and Computation|June 25, 2016
Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge PotentialsEric C Dybeck, Natalie P Schieber, Michael R Shirts
The Journal of Chemical Physics|April 16, 2018
Using reweighting and free energy surface interpolation to predict solid-solid phase diagramsNatalie P Schieber, Eric C Dybeck, Michael R Shirts
Pageof 1

Showing results (1-10 of 3) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|May 3, 2019
Configurational mapping significantly increases the efficiency of solid-solid phase coexistence calculations via molecular dynamics: Determining the FCC-HCP coexistence line of Lennard-Jones particlesNatalie P Schieber, Michael R Shirts
Journal of Chemical Theory and Computation|June 25, 2016
Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge PotentialsEric C Dybeck, Natalie P Schieber, Michael R Shirts
The Journal of Chemical Physics|April 16, 2018
Using reweighting and free energy surface interpolation to predict solid-solid phase diagramsNatalie P Schieber, Eric C Dybeck, Michael R Shirts
Pageof 1