Search Results for author: Christopher P. Race

Found 2 papers, 0 papers with code

Optimal design of experiments in the context of machine-learning inter-atomic potentials: improving the efficiency and transferability of kernel based methods

no code implementations14 May 2024 Bartosz Barzdajn, Christopher P. Race

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces.

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