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Force Field Parameterization
Daniel Schwalbe Koda: Machine learning for interatomic potentials
Active Learning of Fast Bayesian Mapped Gaussian Processes
[polypargen] Usage of PolyParGen
nanoHUB-U Atoms to Materials L5.4: Reactive Interatomic Potentials
Reproducible Simulation Workflows and Machine Learning Directed Force Field Development
Computational Chemistry 2.3 - Force Field Parameters
Stefan Chmiela - Accurate global machine learning force fields for molecules with hundreds of atoms
08 - John Chodera - Future parameterization perspective: Year two and beyond (OFFCW Aug 2019)
Using machine learning to improve RNA force fields
Interatomic energy in molecular dynamics simulations
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Last Updated: August 16, 2026
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