Speaker: Prof. Sergei Tretiak, Electrochemical Energy Storage Center, Skoltech, and Theoretical Division, Center for Nonlinear Studies and Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, US
When: November 12, 16:00
Where: Skolkovo Innovation Center, Technopark, Bld 3, room 407
Abstract: Prediction and understanding of photo-induced processes in molecular- and nano-materials is fundamental to a myriad of technological applications, ranging from sensing, imaging, solar energy harvesting, to future optoelectronic devices. Hence modelling of non-adiabatic dynamics in extended molecular systems and solids is a next frontier of atomistic electronic structure theory.
Using our recently developed non-adiabatic excited-state dynamics simulations framework, we study ultrafast dynamics and excitation transport in several large molecular systems. These simulations reveal a fascinating interplay of conformational vibrational dynamics and internal conversion followed photo-excitation, which has specific spectroscopic signatures and can be observed using time-resolved pump-probe spectroscopies. Observed relationships between spatial extent/properties of electronic wave functions and resulting electronic functionalities allow us to understand and to potentially manipulate excited state dynamics and energy transfer pathways in a number of organic molecular materials suitable for a variety of technological applications.
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We look forward to seeing you.