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A Novel NPT Thermodynamic Integration Scheme to Derive Rigorous Gibbs Free Energies for Crystalline Solids

Fuente: arXiv

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Dettagli Bibliografici
Autori principali:	De Witte, Karel L. K., Braeckevelt, Tom, Bocus, Massimo, Vandenhaute, Sander, Van Speybroeck, Veronique
Natura:	Preprint
Pubblicazione:	2026
Soggetti:	Computational Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

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