An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations

Lin Qin; Christoph Dellago; Ernst Kozeschnik

doi:10.1063/1.5080933

An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations

Lin Qin (Korresp. Autor*in), Christoph Dellago, Ernst Kozeschnik

Computergestützte Physik und Physik der Weichen Materie

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Aufsatznummer	094114
Seitenumfang	11
Fachzeitschrift	Journal of Chemical Physics
Jahrgang	150
Ausgabenummer	9
DOIs	https://doi.org/10.1063/1.5080933
Publikationsstatus	Veröffentlicht - 7 März 2019

ÖFOS 2012

103006 Chemische Physik

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10.1063/1.5080933

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Verknüpfung zur Publikation in Scopus

ViCoM II: Vienna Computational Materials Laboratory
Süss, D., Kresse, G., Held, K., Verstraete, F., Burgdorfer, J., Mauser, N., Blaha, P., Mohn, P., Podloucky, R., Dellago, C. & Resch, A.
1/06/10 → 30/06/19
Projekt: Forschungsförderung

Zitationsweisen

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An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations

ÖFOS 2012

Zugriff auf Dokument

Andere Dateien und Links

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Projekte

ViCoM II: Vienna Computational Materials Laboratory

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