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physics.chem-ph2022★ 24 cited
Understanding Dynamics in Coarse-Grained Models: II. Coarse-Grained Diffusion Modeled Using Hard Sphere Theory
Jaehyeok Jin, Kenneth S. Schweizer, Gregory A. Voth
The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) system…
physics.chem-ph2022★ 49 cited
Understanding Dynamics in Coarse-Grained Models: I. Universal Excess Entropy Scaling Relationship
Jaehyeok Jin, Kenneth S. Schweizer, Gregory A. Voth
Coarse-grained (CG) models facilitate an efficient exploration of complex systems by reducing the unnecessary degrees of freedom of the fine-grained (FG) system while recapitulatin…