Studying Structure, Dynamics, and Vibrational Spectra of Complex Liquids via Atomistic Simulation (Heisenberg Professorship)

Duration: 05/2023 - 12/2026

Funded by: DFG

The Effect of Spatial Correlation on Liquid Phase Vibrational Spectra

Within this project, the influence of spatial correlation on the vibrational spectra (infrared, Raman, VCD, ROA) of condensed phase systems shall be investigated. It is well known in the literature that spatial correlation plays a significant role for the signal intensity in vibrational spectroscopy, but there does not yet exist a generally ...

Duration: 01/2023 - 12/2026

Funded by: DFG

Investigating Solvation of Bio-Polymers in Ionic Liquids by Means of Multiscale Simulations and Computational Spectroscopy

Within this project, the microscopic solvation characteristics of cellulose in ionic liquids shall be investigated by means of multiscale molecular dynamics simulations, complemented by computational spectroscopy. The aim of the project is to gain a molecular picture of the interactions between cellulose and a series of ionic liquids and to ...

Duration: 01/2017 - 04/2023

Funded by: DFG