Photo-isomerization and excitation energy transfer are important paradigms for building molecular devices, such as motors, optical switches or light-harvesting antennas. Mimicking such processes requires a complete understanding of the underlying molecular dynamics. As the relevant time and spatial resolution can be difficult to access experimentally, we make use of computer simulations to gain atomistic insights into these processes. I will present recent applications and discuss how we use the information from the simulations to convert the chromophore of photoactive yellow protein into a molecular motor.

Computer simulations of photochemistry in complex environments: Photo-isomerization and excitation energy transfer

247th National Meeting (2014)

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