ACS Poster Award for Jakub Martinka

Jakub Martinka from the Department of Theoretical Chemistry received the ACS Poster Award for Best Poster at the 20th Central European Symposium on Theoretical Chemistry (CESTC). The conference took place on 8–11 September 2025 in the High Tatras, Slovakia. The award-winning poster was titled: “A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors.”

Jakub Martinka’s work focuses on the use of machine learning to accelerate computer simulations of photochemical processes. In the awarded contribution, the team proposed a new descriptor (input to the machine learning model) that significantly improves the prediction of so-called nonadiabatic couplings. These play a crucial role in photochemical simulations, and accurate predictions enable a better understanding of the processes that occur when light interacts with molecules.

We warmly congratulate Jakub Martinka on this achievement and wish him every success in his future scientific work!