Approaches to the local structure of water: Work in progress

by Mr Daniel Schlesinger (Stockholm university)

Monday 13 Apr 2015, 10:00 → 11:00 Europe/Stockholm

FB51

In this seminar I'll give a short overview over three ongoing projects. First, I'll talk about the simulation of a teraherz (THz) pump/ x-ray diffraction (XRD) probe scenario. THz radiation is known to excite collective motions in liquid water. Motivated by an upcoming corresponding experiment, we try to describe the process qualitatively using molecular dynamics (MD) simulations. The second project deals with the analysis of recent experimental data for the radial distribution function (RDF) for water. The high quality data show intermediate range correlations that could potentially give new insights into water's structure. Last, I'll talk about the analysis of local structures in simulations of water in terms of hydrogen-bonded rings. I'll introduce the ring analysis and show first results obtained using this analysis.