Confined water as model of supercooled water

S Cerveny, F Mallamace, J Swenson, M Vogel… - Chemical …, 2016 - ACS Publications
Water in confined geometries has obvious relevance in biology, geology, and other areas
where the material properties are strongly dependent on the amount and behavior of water …

The role of local structure in dynamical arrest

CP Royall, SR Williams - Physics Reports, 2015 - Elsevier
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 …

Signatures of a liquid–liquid transition in an ab initio deep neural network model for water

TE Gartner III, L Zhang, PM Piaggi, R Car… - Proceedings of the …, 2020 - pnas.org
The possible existence of a metastable liquid–liquid transition (LLT) and a corresponding
liquid–liquid critical point (LLCP) in supercooled liquid water remains a topic of much …

Metastable liquid–liquid transition in a molecular model of water

JC Palmer, F Martelli, Y Liu, R Car… - Nature, 2014 - nature.com
Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its
thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing …

Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature

JA Sellberg, C Huang, TA McQueen, ND Loh… - Nature, 2014 - nature.com
Water has a number of anomalous physical properties, and some of these become
drastically enhanced on supercooling below the freezing point. Particular interest has …

Dynamics of resonant x-ray and Auger scattering

F Gel'mukhanov, M Odelius, SP Polyutov… - Reviews of Modern …, 2021 - APS
An overview of both experimental and theoretical results in the field of resonant scattering of
tunable soft and hard x-ray radiation is presented, with a main focus on the closely related …

Advances in computational studies of the liquid–liquid transition in water and water-like models

JC Palmer, PH Poole, F Sciortino… - Chemical …, 2018 - ACS Publications
There has been uninterrupted interest in supercooled water ever since the pioneering
experiments of Speedy and Angell revealed sharp increases in this substance's response …

Understanding water's anomalies with locally favoured structures

J Russo, H Tanaka - Nature communications, 2014 - nature.com
Water is a complex liquid that displays a surprising array of unusual properties, the most
famous being the density maximum at about 4° C. The origin of these anomalies is still a …

Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular …

A Ardèvol, C Rovira - Journal of the American Chemical Society, 2015 - ACS Publications
Carbohydrate-active enzymes such as glycoside hydrolases (GHs) and glycosyltransferases
(GTs) are of growing importance as drug targets. The development of efficient competitive …

Two-state thermodynamics of the ST2 model for supercooled water

V Holten, JC Palmer, PH Poole… - The Journal of …, 2014 - pubs.aip.org
Thermodynamic properties of the ST2 model for supercooled liquid water exhibit anomalies
similar to those observed in real water. A possible explanation of these anomalies is the …