i-PI 2.0: A universal force engine for advanced molecular simulations

Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic structure problem explicitly, or by computing accurate approximation...

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Bibliographische Detailangaben

1. Verfasser:	Kapil, Venkat
Format:	Dataset
Sprache:	eng
Schlagworte:	Computational Physics
Online-Zugang:	Volltext bestellen
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