Light-driven molecular rotary motors are molecules capable of converting light energy into unidirectional rotational movement. In this project, we intend to unravel the elusive photochemical reactions of light-driven molecular motors by performing computational simulations. Our research study will allow us to better understand and interpret the experimental observations for the investigated motors, as well as to develop new relationships between molecular structure and light-induced behaviour of molecular motors. Moreover, the knowledge acquired from our simulations will be exploited to propose new strategies to improve the efficiency of light-driven reactions in molecular motors, thereby reducing the undesired dissipation of light energy as heat.

This research is part of the project No. 2022/47/P/ST4/01418 co-funded by the National Science Centre and the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement No. 945339.