M. Sc. Nico Kißing

PhD Student

Project

High pressure processes in chemistry are of fundamental interest as the electronic structure of molecules and materials changes significantly under pressure. There are also some interesting applications of high pressure in synthesis. In order to understand these processes on all relevant orders of magnitude and time scales, simulation methods for molecules and materials under high pressure are being developed in this project. The focus here is on both molecular and ensemble properties. The newly developed methods are to be combined into a multiscale simulation model for high-pressure chemistry.