The aim of this project is to develop novel multiscale models for the simulation of processes that are probed in nonlinear spectroscopies. The proposed models will be tailored to enable fast and accurate prediction of spectroscopic properties of large and complex chemical systems, such as condensed phases and biological materials, which is intractable using current computational methods. The predictive power of the suggested models will benefit the design of biomolecules with optimized optical properties. A prominent example would be the color-tuning of multiphoton absorption in proteins which is important in the continued development of biomolecular techniques such as bioimaging and optogenetics. In addition, the proposed models can assist in the interpretation of experimental data by providing the link between the measured observables and the underlying molecular mechanisms, thus helping in the elucidation of fundamental biochemical and biophysical phenomena.
|Effective start/end date||16/12/2016 → 15/10/2017|