Quantum theory of multiscale coarse-graining

Coarse-grained (CG) models serve as a powerful tool to simulate molecular systems at much longer temporal and spatial scales. Previously, CG models and methods have been built upon classical statistical mechanics. The present paper develops a theory and numerical methodology for coarse-graining in q...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2018-03, Vol.148 (10), p.102335-102335
Hauptverfasser:	Han, Yining, Jin, Jaehyeok, Wagner, Jacob W., Voth, Gregory A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Computer simulation Consistency Granulation Integrals Mathematical models Multiscale analysis Optimization Quantum statistics Quantum theory Statistical mechanics
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!