Publications by authors named "Natalie Schieber"

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Configurational mapping significantly increases the efficiency of solid-solid phase coexistence calculations via molecular dynamics: Determining the FCC-HCP coexistence line of Lennard-Jones particles.
Natalie P Schieber, Michael R Shirts

J Chem Phys· April 2019

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Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams.
Natalie P Schieber, Eric C Dybeck, Michael R Shirts

J Chem Phys· April 2018

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Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials.
Eric C Dybeck, Natalie P Schieber, Michael R Shirts

J Chem Theory Comput· August 2016

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Average and Local Crystal Structures of (Ga(1-x)Znx)(N(1-x)Ox) Solid Solution Nanoparticles.
Mikhail Feygenson, Joerg C Neuefeind, Trevor A Tyson, Natalie Schieber, Wei-Qiang Han

Inorg Chem· December 2015

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