The design of new glasses is often plagued by poorly efficient Edisonian “trial-and-error”
discovery approaches. As an alternative route, the Materials Genome Initiative has largely …

We review the recent literature on the simulation of the structure and deformation of
amorphous solids, including oxide and metallic glasses. We consider simulations at different …

Glasses are usually shaped through the viscous flow of a liquid before its solidification, as
practiced in glass blowing. At or near room temperature (RT), oxide glasses are known to be …

The glass science and technology is a rapidly develo** field which is focused on
development of new glasses with excellent properties. Glasses are the non-crystalline …

New functionality is added to the LAMMPS molecular simulation package, which increases
the versatility with which LAMMPS can interface with supporting software and manipulate …

Ionic solids and melts are compounds in which the interactions are dominated by
electrostatic effects. However, the polarization of the ions also plays an important role in …

The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …

The use of machine learning to develop neural network potentials (NNP) representing the
interatomic potential energy surface allows us to achieve an optimal balance between …

Silica (SiO2) is an abundant material with a wide range of applications. Despite much
progress, the atomistic modelling of the different forms of silica has remained a challenge …

We propose a new scheme to parameterize effective potentials that can be used to simulate
atomic systems such as oxide glasses. As input data for the optimization, we use the radial …