Richard A. Messerly
Oak Ridge Associated Universities(US)Oak Ridge National Laboratory(US)Los Alamos National Laboratory(US)Oak Ridge Leadership Computing Facility
Publications by Year
Research Areas
Machine Learning in Materials Science, Phase Equilibria and Thermodynamics, Protein Structure and Dynamics, Computational Drug Discovery Methods, Advanced Combustion Engine Technologies
Most-Cited Works
- → Best Practices for Computing Transport Properties 1. Self-Diffusivity and Viscosity from Equilibrium Molecular Dynamics [Article v1.0](2018)280 cited
- → Extending machine learning beyond interatomic potentials for predicting molecular properties(2022)145 cited
- → Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid(2019)129 cited
- → Uncertainty-driven dynamics for active learning of interatomic potentials(2023)127 cited
- → Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential(2024)112 cited
- → Data Generation for Machine Learning Interatomic Potentials and Beyond(2024)108 cited