Amorphous solids, or glasses, are distinguished from crystalline solids by their lack of long-
range structural order. At the level of two-body structural correlations, glassformers show no …

This review article focuses on the most recent advances in X-ray and neutron scattering
studies of water structure, from ambient temperature to the deeply supercooled and …

Kohn-Sham density functional theory (DFT) has become established as an indispensable
tool for investigating aqueous systems of all kinds, including those important in chemistry …

Water and silicon are chemically dissimilar substances with common physical properties.
Their liquids display a temperature of maximum density, increased diffusivity on …

We present the structural and dynamic nature of water ultraconfined in the quasi-two-
dimensional nanopores of the highly disordered calcium− silicate− hydrate (CSH), the major …

Drawing on the author's practical work from the last 20 years, Techniques in High Pressure
Neutron Scattering is one of the first books to gather recent methods that allow neutron …

Coarse-grained models are becoming a competitive alternative for modeling processes that
occur over time and length scales beyond the reach of fully atomistic molecular simulations …

The PEARL instrument at ISIS has been designed for, and dedicated to, in situ studies of
materials at high pressure, using the Paris–Edinburgh press. In recent years, upgrades to …

Structural and dynamical properties of the hydration of Li+⁠, Na+⁠, and K+ in liquid water at
ambient conditions were studied by first principles molecular dynamics. Our simulations …

Many-body potential energy functions (PEFs) based on the TTM-nrg and MB-nrg theoretical/
computational frameworks are developed from coupled cluster reference data for neat …