Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

[Image: see text] Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent progress in the development of ana...

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Detalles Bibliográficos
Autores principales: Cisneros, Gerardo Andrés, Wikfeldt, Kjartan Thor, Ojamäe, Lars, Lu, Jibao, Xu, Yao, Torabifard, Hedieh, Bartók, Albert P., Csányi, Gábor, Molinero, Valeria, Paesani, Francesco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5450669/
https://www.ncbi.nlm.nih.gov/pubmed/27186804
http://dx.doi.org/10.1021/acs.chemrev.5b00644

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5450669/
https://www.ncbi.nlm.nih.gov/pubmed/27186804
http://dx.doi.org/10.1021/acs.chemrev.5b00644

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