Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence
on density or temperature near the glass transition. Although several theories have been …

This study proposes a model for self-diffusion coefficients of pure substances from entropy
scaling using the perturbed-chain polar statistical associating fluid theory (PCP-SAFT) …

The enzyme Candida Antarctica lipase B (CALB) serves here as a model for understanding
connections among hydration layer dynamics, solvation shell structure, and protein surface …

We present a study of two model liquids with different interaction potentials, exhibiting
similar structure but significantly different dynamics at low temperatures. By evaluating the …

There is a long history of trying to understand the dynamics of glass-forming and other
condensed materials exhibiting highly anharmonic interparticle interactions based on their …

Liquids with very diverse underlying interactions share the thermodynamic and transport
anomalies of water, including metalloids, ionic melts and mesoscopic fluids. The generic …

We use molecular dynamics simulations to compare and contrast the liquid-state anomalies
in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) …

This paper first establishes an approximate scaling property of the potential-energy function
of a classical liquid with good isomorphs (a Roskilde-simple liquid). This …

In this paper, we establish a connection between the onset temperature of glassy dynamics
with the change in the entropy for a wide range of model systems. We identify the crossing …

The total, triplet, and pair contributions to the entropy with increasing tetrahedrality are
mapped out for the Stillinger-Weber liquids to demonstrate the qualitative and quantitative …