Markov State Model Approach to Simulate Self-Assembly

Computational modeling of assembly is challenging for many systems, because their timescales can vastly exceed those accessible to simulations. This article describes the multiMSM, which is a general framework that uses Markov state models (MSMs) to enable simulating self-assembly and self-organizat...

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Bibliographic Details
Main Authors: Anthony Trubiano, Michael F. Hagan
Format: Article
Language:English
Published: American Physical Society 2024-12-01
Series:Physical Review X
Online Access:http://doi.org/10.1103/PhysRevX.14.041063
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