Regensburg 2022 – wissenschaftliches Programm

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SYUK: Symposium United Kingdom as Guest of Honor

SYUK 1: United Kingdom as Guest of Honor I

SYUK 1.1: Hauptvortrag

Mittwoch, 7. September 2022, 09:30–10:00, H2

Structure and Dynamics of Interfacial Water — •Christoph Schran and Angelos Michaelides — University of Cambridge, Cambridge, UK

There are few molecules, if any, more important than water. However, remarkably little is known about how it interacts with surfaces, particularly at the molecular level. In this talk I will discuss some of our recent work on the application and development of a variety of state of the art computer simulation methods to better understand the structure and dynamics of water at surfaces and under confinement. Specific topics discussed will include work carried out to understand water confined within 1- and 2-dimensional membranes. Methodological developments aimed at providing an efficient machine learning strategy for simulating complex aqueous interfaces will also be presented.