2019/03/12 by Aviel Chaimovich, Chaimovich, Aviel, Christine Peter +3
Engineering · Materials Science · Physics and Astronomy · #Artificial intelligence #Biological system #Component (thermodynamics) #Computer science #FOS: Physical sciences #Formalism (music) #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Phase space #Physics #Resolution (logic) #Soft Condensed Matter (cond-mat.soft) #Spectroscopy and Quantum Chemical Studies #Statistical Mechanics (cond-mat.stat-mech) #Statistical physics #Thermal #Thermodynamics #cond-mat.soft #cond-mat.stat-mech
paper · pdf · doi:10.48550/arxiv.1903.04755
published in arXiv (Cornell University) (Cornell University)
arxiv created 2019/03/12 · openalex publication_date 2019/03/12 · arxiv updated 2019/03/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We show here that molecular resolution is inherently hybrid in terms of relative separation: If molecules are close to each other, they must be characterized by a fine-grained (geometrically detailed) model, yet if molecules are far from each other, they may be described by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models by energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.