Richard A. Messerly

1. Learning Together: Towards foundational models for machine learning interatomic potentials with meta-learning
   2023/07/08 by Alice E. A. Allen, Nicholas Lubbers, Allen, Alice E. A. +11 · 12 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Protein Structure and Dynamics
2. Multi-fidelity learning for interatomic potentials: Low-level forces and high-level energies are all you need
   2025/05/02 by Sakib Matin, Messerly, Mitchell, Alice E. A. Allen +12 · 6 citations
   Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science
3. Machine learning potentials with Iterative Boltzmann Inversion: training to experiment
   2023/07/10 by Sakib Matin, Alice Allen, Matin, Sakib +17 · 2 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Applied Physics (physics.app-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Model Reduction and Neural Networks #Protein Structure and Dynamics
4. Toward machine learning interatomic potentials for modeling uranium mononitride
   2024/11/21 by Lorena Alzate-Vargas, Kashi N. Subedi, Alzate-Vargas, Lorena +11 · 3 citations
   Materials Science · Physics and Astronomy · #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Nuclear Materials and Properties #Nuclear Physics and Applications
5. Best Practices for Computing Transport Properties 1. Self-Diffusivity and Viscosity from Equilibrium Molecular Dynamics [Article v1.0]
   2018/12/21 by Edward J. Maginn, Richard A. Messerly, Daniel J. Carlson +2 · 1 citation
   Chemistry · Energy · Engineering · Materials Science · Mathematics · #CO2 Reduction Techniques and Catalysts #Chemistry #Computational chemistry #Computer science #Field (mathematics) #Focus (optics) #Force field (fiction) #Fuel Cells and Related Materials #Machine Learning in Materials Science #Mathematics #Molecular dynamics #Physics #Reliability (semiconductor) #Representation (politics) #Statistical physics #Thermal diffusivity #Thermodynamics #Viscosity