Speed up Multi-Scale Force-Field Parameter Optimization by Substituting Molecular Dynamics Calculations with a Machine Learning Surrogate Model
Published in ChemPhysChem, 2025
Recommended citation: Robin Strickstrock, Alexander Hagg, Dirk Reith, Karl Kirschner, "Speed up Multi-Scale Force-Field Parameter Optimization by Substituting Molecular Dynamics Calculations with a Machine Learning Surrogate Model." ChemPhysChem, 2025.
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