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GPU-Accelerated Charge-Equilibration for Shadow Molecular Dynamics in Python

Fuente: arXiv
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Bibliographic Details
Main Authors: Kaymak, Mehmet Cagri, Lubbers, Nicholas, Negre, Christian F. A., Wall, Michael, Niklasson, Anders M. N.
Format: Preprint
Published: 2025
Subjects:
Computational Physics
Computational Engineering, Finance, and Science
Online Access:
Acceder al recurso
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