This project investigates interactions between chiral gold nanoclusters and chiral biomolecules by means of massively parallel molecular dynamics simulations and electronic structure calculations. The aim of the study is to find out whether chemically weak biomolecule adsorption events cause measurable changes in clusters' chiroptical response, thus forming a basis to use the clusters as novel chemoselective biosensors. The research is done in collaboration with two European research groups in Geneva and Vienna and the massively parallel computations are performed in LUMI and Mahti supercomputers at CSC in Finland.

2024

2026