Code interoperability extends the scope of quantum simulations

Abstract The functionality of many materials is critically dependent on the integration of dissimilar components and on the interfaces that arise between them. The description of such heterogeneous components requires the development and deployment of first principles methods, coupled to appropriate...

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Auteurs principaux: Marco Govoni, Jonathan Whitmer, Juan de Pablo, Francois Gygi, Giulia Galli
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/0821de065154497f9b1b114169a8d02c
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