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)

|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 λ-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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Frequent Collaborators

1 joint publications

Richard A Messerly