Cargando…

Chemical Potential Differences in the Macroscopic Limit from Fluctuations in Small Systems

[Image: see text] We present a new method for computing chemical potential differences of macroscopic systems by sampling fluctuations in small systems. The small system method, presented by Schnell et al. [Schnell et al., J. Phys. Chem. B, 2011, 115, 10911], is used to create small embedded systems...

Descripción completa

Detalles Bibliográficos
Autores principales: Bråten, Vilde, Wilhelmsen, Øivind, Schnell, Sondre Kvalvåg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8023585/
https://www.ncbi.nlm.nih.gov/pubmed/33566592
http://dx.doi.org/10.1021/acs.jcim.0c01367