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Michael R Shirts

3PUBLICATIONS

1CO-AUTHORS

Statistical mechanics in chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Theory and design of materials

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Publications (3)

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|May 03, 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 particles.

Natalie P Schieber, Michael R Shirts

|Sep 24, 2018

Uncertainty quantification confirms unreliable extrapolation toward high pressures for united-atom Mie <i>λ</i>-6 force field.

Richard A Messerly, Michael R Shirts, Andrei F Kazakov

|Apr 16, 2018

Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams.

Natalie P Schieber, Eric C Dybeck, Michael R Shirts

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Richard A Messerly

Frequent Collaborators

1 joint publications

Richard A Messerly

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