In this talk, I will describe my group's efforts for the development and application of theoretical methods for the accurate simulation of excitons in photosynthetic complexes. I will describe our recent efforts in studying large photosynthentic complexes using the Hierarchy-Equation of Motion method. I will also discuss large-scale simulations of up to 74,000 chromophores in the chlorosome of green-sulfur bacteria using a Stochastic model for the Schrodinger equation that can have memory and structured spectral densities. Both approaches are accelerated using general-purpose graphics processing units (GPGPU). I will describe both the chemistry aspects of comparing these more accurate models with simpler models such as Redfield theory on these systems. I will also describe the parallelization strategies and speedups achieved by GPGPU aceleration.

Accurate simulation of exciton dynamics for hundreds to tens of thousands of chromophores: Theoretical methods and acceleration by general-purpose graphics processing units (GPGPU)

249th National Meeting (2015)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.