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Quantum Monte Carlo Study of Photoprotection via Carotenoids in Photosynthetic Centers


The goal of this project is to increase understanding of the complex processes that occur during photosynthesis. Photosynthesis, which is an efficient energy transfer system, is an example of fundamental electron chemistry. The QMC method was used to solve the Schrodinger equation and produced datasets of walkers for the electron density of carotenoid molecules. Each walker is a snapshot of the configuration of the 3N electronic coordinates, where N is the number of electrons. The image to the left shows a ball-and-stick model of spheroidene. An isosurface of the electron density is shown in yellow; walkers are colored in shades of green, rose, and teal.

Visualization application used: AVS/Express. More visualization examples