Bottom-up coarse-graining: Principles and perspectives

J **, AJ Pak, AEP Durumeric, TD Loose… - Journal of chemical …, 2022 - ACS Publications
Large-scale computational molecular models provide scientists a means to investigate the
effect of microscopic details on emergent mesoscopic behavior. Elucidating the relationship …

Theory of structural glasses and supercooled liquids

V Lubchenko, PG Wolynes - Annu. Rev. Phys. Chem., 2007 - annualreviews.org
We review the random first-order transition theory of the glass transition, emphasizing the
experimental tests of the theory. Many distinct phenomena are quantitatively predicted or …

Optimized cluster expansions for classical fluids. II. Theory of molecular liquids

D Chandler, HC Andersen - The Journal of Chemical Physics, 1972 - pubs.aip.org
The optimized cluster expansion methods developed in the first article of this series (I) are
generalized to apply to molecular fluids. These methods make use of summations of ring …

Theory of the hydrophobic effect

LR Pratt, D Chandler - The Journal of chemical physics, 1977 - pubs.aip.org
A microscopic theory is developed which can describe many of the structural and
thermodynamic properties of infinitely dilute solutions of apolar solutes in liquid water. The …

Colloidal hard spheres: Triumphs, challenges, and mysteries

CP Royall, P Charbonneau, M Dijkstra, J Russo… - Reviews of Modern …, 2024 - APS
The simplicity of hard spheres as a model system is deceptive. Although the particles
interact solely through volume exclusion, that nevertheless suffices for a wealth of static and …

Perspective: Excess-entropy scaling

JC Dyre - The Journal of chemical physics, 2018 - pubs.aip.org
This article gives an overview of excess-entropy scaling, the 1977 discovery by Rosenfeld
that entropy determines properties of liquids like viscosity, diffusion constant, and heat …

Van der Waals picture of liquids, solids, and phase transformations

D Chandler, JD Weeks, HC Andersen - Science, 1983 - science.org
The van der Waals picture focuses on the differing roles of the strong short-ranged repulsive
intermolecular forces and the longer ranged attractions in determining the structure and …

Dynamics on the way to forming glass: Bubbles in space-time

D Chandler, JP Garrahan - Annual review of physical chemistry, 2010 - annualreviews.org
We review a theoretical perspective of the dynamics of glass-forming liquids and the glass
transition, a perspective developed during this past decade based on the structure of …

Extended corresponding-states behavior for particles with variable range attractions

MG Noro, D Frenkel - The Journal of Chemical Physics, 2000 - pubs.aip.org
We propose an extension of the law of corresponding states that can be applied to systems—
such as colloidal suspensions—that have widely different ranges of attractive interactions …

Perturbation theory of the thermodynamic properties of simple liquids

JD Weeks, D Chandler, HC Andersen - The Journal of Chemical …, 1971 - pubs.aip.org
This note supplements our recent publication'(I) on the role of repulsive forces in
determining the structure of simple liquids. The ideas presented in I are a basis for a rapidly …