Parallel session

Electronic structure and chemical dynamics simulations

Room 57/58

Chair: Claudia Filippi (UT)

Dipanshu Kumar (RU): The fate of the hesitating proton: Adsorption of ethanol in H-MFI

Riccardo Reho (UU): Controlling light-matter interaction in TMD heterostructures

Matthijs Hakkennes (LEI): Computational protocol for efficient exploration on the triplet hypersurface of photosubstitution reactions in metal complexes

Aleksande Kolganov (TU Delft) : Sampling the active site in supported organometallic catalysts via automated configurational space exploration