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A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature

A number of studies have constructed coarse-grained (CG) models of water to understand its anomalous properties. Most of these properties emerge at low temperatures, and an accurate CG model needs to be applicable to these low-temperature ranges. However, direct use of CG models parameterized from o...

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Библиографические подробности
Опубликовано в: :J Chem Phys
Главные авторы: Jin, Jaehyeok, Pak, Alexander J., Han, Yining, Voth, Gregory A.
Формат: Artigo
Язык:Inglês
Опубликовано: AIP Publishing LLC 2021
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7826166/
https://ncbi.nlm.nih.gov/pubmed/33514078
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0026652
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