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Professor Adam P. Willard, MIT University, "Modeling Exciton Dynamics in Heterogeneous Molecular Environments"

Event Type
Seminar/Symposium
Sponsor
So Hirata
Location
CLSL B-102
Date
Apr 17, 2024   2:00 - 3:00 pm  
Contact
Randy Prince
E-Mail
rlprince@illinois.edu
Phone
217-333-2540
Views
27
Originating Calendar
Chemistry - Physical Chemistry Seminars

Excitons facilitate the transport and interconversion of electronic excitation energy in many molecular systems. The dynamics of excitons in disordered condensed-phase molecular systems depend significantly on how molecules are arranged within the system. However, modeling this dependence presents a significant theoretical challenge. In this talk, I will present my group's efforts in developing methods for simulating the dynamics of excitons in disordered molecular systems. I will describe how we incorporate information from molecular dynamics simulation into coarse-grained exciton models and what we can learn by doing so. I will then discuss how we can extend our approaches to designing multi-chromophoric systems capable of performing elementary quantum computations upon photo-excitation and discuss some of the challenges associated with realizing these systems in the lab. 
 

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