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Machine-learning potentials for crystal defects
Decades of advancements in strategies for the calculation of atomic interactions have
culminated in a class of methods known as machine-learning interatomic potentials …
culminated in a class of methods known as machine-learning interatomic potentials …
BoostMD: Accelerated Molecular Sampling Leveraging ML Force Field Features
Accurately modelling atomic-scale processes, such as protein folding and catalysis, is
crucial in computational biology, chemistry, and materials science. While machine learning …
crucial in computational biology, chemistry, and materials science. While machine learning …