8 citations · 8 across the 3 of their papers we have counts for
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physics.chem-ph2025
SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles
Gregor N. C. Simm, Jean Hélie, Hannes Schulz +13
Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale n…
physics.chem-ph2025
Understanding multi-fidelity training of machine-learned force-fields
John L. A. Gardner, Hannes Schulz, Jean Helie +2
This study systematically investigates two multi-fidelity strategies used to train machine-learned force fields (MLFFs) -- pre-training/fine-tuning and multi-headed training -- and…