Vibrational energy transfer through molecules plays a crucial role in many chemical and biological processes. Understanding the transfer rates and mechanisms may not only shed light on these processes, but may also lead to technological developments in the areas of quantum information processing and molecular electronics. Recently, it was shown that it is possible to induce robust long-range transfer of strongly correlated particles in a one-dimensional dimer chain model by tuning the chain’s topology. In the present work, we consider the effect of coupling this dimer chain to a chain of coupled harmonic oscillators on the energy transfer dynamics. This is accomplished by performing mixed quantum-classical dynamics simulations of the composite system, in which the dimer chain is treated quantum mechanically while the chain of coupled harmonic oscillators is treated classically. We investigate the energy transfer dynamics for a wide range of model parameters and disorders by monitoring the time-dependent population of each mode in the dimer chain. Interestingly, when the dimer chain is in its topologically non-trivial phase, we find that the population transfers from one end of the chain to the other (without passing through the intermediate sites) on a $\sim 100$ fs timescale, in contrast to the $\sim 10$ ps timescale observed in the original model. In addition, this transfer is found to be quite robust in the presence of weak disorder in the dimer chain. These results point to the possibility of achieving ultrafast, topologically-protected energy transfer in polymeric materials with appropriate molecular compositions and architectures.

通过分子的振动能量传递在许多化学和生物过程中都起着至关重要的作用。了解转移速率和机制不仅可以阐明这些过程，而且可以导致量子信息处理和分子电子学领域的技术发展。最近，研究表明，通过调整链的拓扑结构，可以在一维二聚体链模型中诱导强相关粒子的强大的远程转移。在当前的工作中，我们考虑将这个二聚体链耦合到耦合谐波振荡器链上对能量传递动力学的影响。这是通过对复合系统进行混合的量子经典动力学模拟来完成的，其中，对二聚体链进行量子力学处理，而对耦合谐波振荡器的链进行经典处理。我们通过监测二聚体链中每个模式的时间依赖性种群，研究了广泛的模型参数和失调的能量转移动力学。有趣的是，当二聚体链处于其拓扑非平凡阶段时，我们发现种群在链上从链的一端转移到另一端（不通过中间位点）。$〜100$ fs时间尺度，与 $〜10$原始模型中观察到的ps时间刻度。此外，在二聚体链中存在弱无序的情况下，发现这种转移非常牢固。这些结果表明在具有适当分子组成和结构的聚合物材料中实现超快，受拓扑保护的能量转移的可能性。