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Enabling Ab-Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions

Fuente: arXiv

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Bibliographic Details
Main Authors:	Ahart, Christian S., Chulkov, Sergey, Cucinotta, Clotilde S.
Format:	Preprint
Published:	2024
Subjects:	Materials Science Mesoscale and Nanoscale Physics
Online Access:	Acceder al recurso
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