98 citations · 213 across the 7 of their papers we have counts for
5 papers · 1 filter
A Two-State Picture of Water and the Funnel of Life
Lars G. M. Pettersson
Here I show that experimental and simulation data on liquid water using vibrational (infrared and Raman) and X-ray (absorption and emission) spectroscopies, as well as recent data…
The Boson peak in supercooled water
Pradeep Kumar, K. Thor Wikfeldt, Daniel Schlesinger +2
We perform extensive molecular dynamics simulations of the TIP4P/2005 model of water to investigate the origin of the Boson peak reported in experiments on supercooled water in nan…
X-ray Diffraction and Molecular Dynamics Study of Medium-range Order in Ambient and Hot Water
Congcong Huang, K. T. Wikfeldt, D. Nordlund +5
We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pre…
Spatially Inhomogeneous Bimodal Inherent Structure in Simulated Liquid Water
K. T. Wikfeldt, A. Nilsson, L. G. M. Pettersson
In the supercooled regime at elevated pressure two forms of liquid water, high-density (HDL) and low-density (LDL), have been proposed to be separated by a coexistence line ending…
Half or full core-hole in density functional theory X-ray absorption spectrum calculations of water?
Matteo Cavalleri, Michael Odelius, Dennis Nordlund +2
We analyze the performance of two different core-hole potentials in the theoretical modeling of XAS of ice, liquid and gas phase water; the use of a full core-hole (FCH) in the cal…