Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics

Fuente: arXiv

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Bibliographic Details
Main Authors:	Zou, Ziyue, Wang, Dedi, Tiwary, Pratyush
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Soft Condensed Matter Statistical Mechanics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2409.11843