The introduction of accelerator devices such as graphics processing units (GPUs) has had
profound impact on molecular dynamics simulations and has enabled order-of-magnitude …

We combine the swap Monte Carlo algorithm to long multi-CPU molecular dynamics
simulations to analyze the equilibrium relaxation dynamics of model supercooled liquids …

Successful computer studies of glass-forming materials need to overcome both the natural
tendency to structural ordering and the dramatic increase of relaxation times at low …

Key to resolving the scientific challenge of the glass transition is to understand the origin of
the massive increase in viscosity of liquids cooled below their melting temperature (avoiding …

Graphics processing units have been extensively used to accelerate classical molecular
dynamics simulations. However, there is much less progress on the acceleration of force …

The noncrystalline glassy state of matter plays a role in virtually all fields of materials science
and offers complementary properties to those of the crystalline counterpart. The caveat of the …

The configurational entropy is one of the most important thermodynamic quantities
characterizing supercooled liquids approaching the glass transition. Despite decades of …

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

We present diffusion coefficient and shear viscosity data for the Lennard-Jones fluid along
nine isochores above the critical density, each involving a temperature variation of roughly …

Physical ageing is the generic term for irreversible processes in glassy materials resulting
from molecular rearrangements. One formalism for describing such ageing processes …