[HTML][HTML] Mode-coupling theory of the glass transition: A primer

LMC Janssen - Frontiers in Physics, 2018 - frontiersin.org
Understanding the physics of glass formation remains one of the major unsolved challenges
of condensed matter science. As a material solidifies into a glass, it exhibits a spectacular …

[HTML][HTML] 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 …

Understanding dynamics in coarse-grained models. I. Universal excess entropy scaling relationship

J Jin, KS Schweizer, GA Voth - The Journal of Chemical Physics, 2023 - pubs.aip.org
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 …

Understanding dynamics in coarse-grained models. III. Roles of rotational motion and translation-rotation coupling in coarse-grained dynamics

J Jin, EK Lee, GA Voth - The Journal of Chemical Physics, 2023 - pubs.aip.org
This paper series aims to establish a complete correspondence between fine-grained (FG)
and coarse-grained (CG) dynamics by way of excess entropy scaling (introduced in Paper I) …

A random first-order transition theory for an active glass

SK Nandi, R Mandal, PJ Bhuyan… - Proceedings of the …, 2018 - National Acad Sciences
How does nonequilibrium activity modify the approach to a glass? This is an important
question, since many experiments reveal the near-glassy nature of the cell interior …

Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory

J Jin, KS Schweizer, GA Voth - The Journal of Chemical Physics, 2023 - pubs.aip.org
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) systems …

A comparative study of the correlation between the structure and the dynamics for systems interacting via attractive and repulsive potentials

M Sharma, MK Nandi… - The Journal of Chemical …, 2023 - pubs.aip.org
We present the study of the structure–dynamics correlation for systems interacting via
attractive Lennard-Jones (LJ) and its repulsive counterpart, the Weeks–Chandler–Andersen …

[HTML][HTML] Ions' motion in water

P Banerjee, B Bagchi - The Journal of chemical physics, 2019 - pubs.aip.org
Over the decades, a great deal of attention has been focused on the solvation and transport
properties of small rigid monatomic ions such as Na+, K+, Li+, Cl−, and Br− due to their …

Microscopic theory of softness in supercooled liquids

MK Nandi, SM Bhattacharyya - Physical Review Letters, 2021 - APS
We introduce a new measure of the structure of a liquid which is the softness of the mean-
field potential developed by us earlier. We find that this softness is sensitive to small …

Connection between water's dynamical and structural properties: Insights from ab initio simulations

C Herrero, M Pauletti, G Tocci… - Proceedings of the …, 2022 - National Acad Sciences
Among all fluids, water has always been of special concern for scientists from a wide variety
of research fields because of its rich behavior. In particular, some questions remain …