M. Sc. Rahel Weiß
PhD Student
| Address: | Leobener Str. 6 (UFT) |
| Room: | 1230 |
| Email: | Please click here |
| Tel.: | 0421 218-50283 |
Project
The central feature of this project is a haptic device that allows users to touch and manipulate molecules in a virtual laboratory environment. The device allows users to pick an atom, displace it and thereby deform a molecule, which generates a real-time force feedback that can be felt by the user. Throughout the course of this project, mechanochemical and high-pressure simulations as well as a coloring scheme will be implemented, which will allow the identification of labile bonds and possible chemical reactions. The haptic device will be used in simulations in the realm of mechano- and high-pressure chemistry as well as in various teaching and outreach activities of the University of Bremen.
This project is a collaboration with Prof. Markus Reiher from the ETH Zürich. We thank the Central Research Development Fund of the University of Bremen for financing this project.
Publikationen:
R. Weiß, F. Zeller, T. Neudecker, “Calculating High-Pressure Vibrational Frequencies Analytically with the Extended Hydrostatic Compression Force Field Approach”, J. Chem. Phys. 2024, 160, 084101
