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

The analysis of low molecular weight (LMW) compounds is of great interest to detect small
pharmaceutical drugs rapidly and sensitively, or to trace and understand metabolic …

This book gives a pedagogical introduction to the physics of amorphous solids and related
disordered condensed matter systems. Important concepts from statistical mechanics such …

We take familiar inorganic oxide glasses and non-oxide glasses and the liquids from which
they derive to review the current understanding of their atomic structure, ranging from the …

Structure and reactivity often are dependent on the polarity of chemical bonds. This
relationship is reflected by atomic charges in classical (semiempirical) atomistic simulations; …

This paper presents results of first-principles calculations of nuclear magnetic resonance
(NMR) parameters: the chemical shielding tensor and the electric field gradient tensor, of …

We use inelastic neutron scattering and molecular dynamics simulation to investigate the
interplay between the structure and the fast sodium ion diffusion in various sodium silicates …

Infrared (IR) and Raman spectroscopic features of silicate glasses are often interpreted
based on the analogy with those of smaller molecules, molecular clusters, or crystalline …

Silica-based glasses are of great importance in various technological fields ranging from
fiber optic wave guides, laser optics for initiating fusion reactions, to containers for …

Short and medium range order of silica and sodium silicate glasses have been investigated
from a quantitative analysis of 29Si MAS NMR and 23Na, 17O MQMAS NMR spectra. The …