Molecular Excited States (MolEx) Workshop
09.06.2025 - 13.06.2025 - Toruń
www: https://molex.umk.pl
Katedra Chemii Materiałów, Adsorpcji i Katalizy
87-100 Toruń, ul. Gagarina 7
+56 611 4302
Dr hab. Anna Kaczmarek-Kędziera
e-mail: teoadk@chem.umk.pl
Dr Saikat Mukherjee
e-mail: saikat@umk.pl
Dr Marta Gałyńska
e-mail: marta.galynska@umk.pl
telefon: +56 611 2064
Growing interest in the developments of the devices and techniques using light for the biomedical and technological applications such as photovoltaics, OLED, photodynamic therapy or bioimaging requires the precise control of the photophysical behaviour of the molecular components of these systems and the abilities to predict the pathways of photochemical reactions. Thus, the MolEx workshop is devoted to the theoretical modeling of the excited states of chemical molecules. It aims in providing the complete picture of the available approaches and tools for the description of the photophysical and photochemical processes starting from the high-level static ab initio calculations via the molecular dynamics simulations in excited state to the application of machine-learning tools for acceleration of the simulations. The influence of the environment on photophysical features of the molecules will be taken into account in order to ensure the accuracy of calculations that will be directly compared with the measurements in the condensed phase. Such a complex set of topics allow the participants to learn how to the practically apply the computational chemistry tools for the project devoted to the excited state properties of photoactive molecules and led in the close contact with the experiment. Both scientific part of the workshop and the social events are planned to induce the networking and exchange of ideas between the participants and the tutors. Thus also the tutors and lecurers will take part in the whole workshop to share their expertise, but at the same time to improve their skills. Practical hands-on sessions will use mainly free software to allow participants to create and customize a comfortable working environment for conducting their own calculations.