Influence of a structured environment on the energy transfer in molecular assemblies: An approach based on Stochastic Schrödinger equations

• Applicant: Dr. Alexander Eisfeld
• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2010 to 2012
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 189797246

The transport of excitation energy in assemblies of molecules plays animportant role in many parts of biology, chemistry and technology.Prominent examples are the photosynthetic complexes or aggregates consistingof organic dyes, which are used in photography or organic solar cells. In such molecular aggregates electronic excitation can be transferred from onemolecule to the other due to resonant dipole-dipole interaction.The character of this transfer is strongly influenced by interactions with thesurroundings: with increasing interaction it changes from a coherentquantum mechanical propagation to a classical diffusion process.In the project we will investigate the influence of a structured environmentwhich possesses a memory, on the character and efficiency of the energy transferin various systems.To take the non-Markovian dynamics due to the memory of the surroundingsproperly into account we apply new approaches from the theory of stochasticSchrödinger equations.With this methods we will investigate the transition from coherent transfer toincoherent Förster hopping. The main focus, however, will be to use tailored environments to manipulate the transport efficiency and to control the direction ofenergy Transfer.

• DFG Programme: Research Fellowships
• International Connection: USA
• Host: Professor Alán Aspuru-Guzik, Ph.D.