Non-adiabatic QM simulation of light-harvesting dendrimer

Synthetic supermolecules such as -conjugated light-harvesting dendrimers efficiently harvest energy from sunlight, which is of significant importance for the global energy problem. Key to their success is rapid transport of electronic excitation energy from peripheral antennas to photochemical reaction cores, the atomistic mechanisms of which remains elusive. Here, quantum-mechanical molecular dynamics simulation incorporating nonadiabatic electronic transitions reveals the key molecular motion that significantly accelerates the energy transport based on the Dexter mechanism.

Category:

Science & Technology

Tags:

• light
• harvesting
• dendrimer
• quantum
• mechanics
• non-adiabatic
• surface
• hopping
• photovoltaic

[cacsmovie]

I used VMD to generate 3D model and POV-Ray for rendering.

[azpetopo007]

which is the program to animated??