Marco G. Mazza

TL;DR: A study combining mean-field calculations and Monte Carlo simulations shows that a common physical mechanism underlies each of the four scenarios for low-temperature phase behavior of liquid water, and that two key physical quantities determine which of theFour scenarios describes water: the strength of the directional component of the hydrogen bond and thestrength of the cooperative component ofThe hydrogen bond.

TL;DR: Using molecular dynamics simulations, it is found that the dynamic transition of the macromolecules occurs at the temperature of dynamic crossover in the diffusivity of hydration water and also coincides with the maxima of the isobaric specific heat C_{P} and the temperature derivative of the orientational order parameter.

TL;DR: These breakdowns appear to be generalized phenomena, in contrast with a view where only the most mobile molecules are the origin of the breakdown of the SE and SED relations, embedded in an inactive background where these relations hold.

TL;DR: This work uses molecular dynamics simulations to probe the rotational dynamics of the extended simple point charge model of water for a range of temperatures down to 200 K, 6 K above the mode coupling temperature and finds thatrotational dynamics is spatially heterogeneous.

TL;DR: In this article, the authors studied the dynamics of the hydrogen bond (HB) network of a percolating layer of water molecules and compared the measurements of a hydrated globular protein with the results of a coarse-grained model that successfully reproduces the properties of hydration water.