Systematic Coarse-Grained Models for Molecular Systems Using Entropy

Systematic Coarse-Grained Models for Molecular Systems Using Entropy

The development of systematic coarse-grained mesoscopic models for complex molecular systems is an intense research area. Here we first give an overview of different methods for obtaining optimal parametrized coarse-grained models, starting from detailed atomistic representation for high dimensional...

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Bibliographic Details
Main Authors: Evangelia Kalligiannaki, Vagelis Harmandaris, Markos Katsoulakis
Format: Article
Language:English
Published: MDPI AG 2020-04-01
Series:Proceedings
Subjects:
coarse-graining
data-driven
relative entropy
path-space
uncertainty quantification
Online Access:https://www.mdpi.com/2504-3900/46/1/27

Internet

https://www.mdpi.com/2504-3900/46/1/27

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