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Listar por autor "Bulin, Johannes"
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Interatomic-Potential-Free, Data-Driven Molecular Dynamics
Bulin, Johannes; Hamaekers, Jan; Ariza Moreno, María del Pilar; Ortiz, Michael (Elsevier, 2023-10)We present a Data-Driven (DD) paradigm that enables molecular dynamics calculations to be performed directly from sampled ...