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Publications by Richard A. Messerly
Uncertainty Quantification Confirms Unreliable Extrapolation Toward High Pressures for United-Atom Mie Λ-6 Force Field
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Best Practices for Computing Transport Properties 1. Self-Diffusivity and Viscosity From Equilibrium Molecular Dynamics [Article V1.0]
Living Journal of Computational Molecular Science
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An All-Atom Force Field for Metallocenes
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Multiobjective Genetic Training and Uncertainty Quantification of Reactive Force Fields
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Application of the TraPPE Force Field to Predicting Isothermal Pressure–Volume Curves at High Pressures and High Temperatures
International Journal of Thermophysics
Condensed Matter Physics
Figure 6: Prediction Errors for Λ.
Scalable Domain Decomposition Algorithms for Uncertainty Quantification in High Performance Computing
A Crash-Testing Framework for Predictive Uncertainty Assessment When Forecasting High Flows in an Extrapolation Context
