模拟光收集配合物中的激子-能量转移

Tobias Kramer, C. Kreisbeck
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引用次数: 8

摘要

光合作用中能量传递的理论和实验研究揭示了一种有趣的输运机制,它位于经典输运动力学和量子力学干涉效应的交界处。耗散是由电子自由度与振动模式的耦合引起的,并导致从天线复合体到目标反应中心的定向能量转移。耗散驱动具有鲁棒性,不依赖于特定振动模式的微调。对于生物系统中遇到的参数体系,需要新的理论工具直接将理论结果与实验光谱数据进行比较。计算需要利用大规模并行图形处理器单元(gpu)进行高效和精确的计算。
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Modelling excitonic-energy transfer in light-harvesting complexes
The theoretical and experimental study of energy transfer in photosynthesis has revealed an interesting transport regime, which lies at the borderline between classical transport dynamics and quantum-mechanical interference effects. Dissipation is caused by the coupling of electronic degrees of freedom to vibrational modes and leads to a directional energy transfer from the antenna complex to the target reaction-center. The dissipative driving is robust and does not rely on fine-tuning of specific vibrational modes. For the parameter regime encountered in the biological systems new theoretical tools are required to directly compare theoretical results with experimental spectroscopy data. The calculations require to utilize massively parallel graphics processor units (GPUs) for efficient and exact computations.
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