Best practices for second-generation Car-Parrinello ab initio molecular dynamics with CP2K/Quickstep

Fuente: arXiv

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Bibliographic Details
Main Author:	Kühne, Thomas D.
Format:	Preprint
Published:	2026
Subjects:	Computational Physics Disordered Systems and Neural Networks Materials Science Statistical Mechanics Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2601.12191