论文标题
分子等离子体学的有效平行策略 - 在三个维
Efficient parallel strategy for molecular plasmonics -- a numerical tool for integrating Maxwell-Schrodinger equations in three dimensions
论文作者
论文摘要
考虑了一种有效的平行化方法，以模拟现实电磁环境中量子发射器的集合的光学性质。它依赖于平衡利用处理器的计算负载，并内置在用于Maxwell方程数值集成的三维域分解方法中。采用的方法可以直接访问集体效应的动力学，因为模拟中的分子数量可以大大增加。测量加速因子的数值实验证明了所提出的方法的效率。例如，我们考虑具有近700,000个双原子分子的动力学，其自由度的RO振动程度明确解释了由分裂环共振器和三角形纳米霍尔斯的定期阵列制成的电磁辐射。作为方法的应用，对强耦合条件下的分离动力学进行了审查。证明解离速率在极化频率附近受到显着影响。
An efficient parallelization approach to simulate optical properties of ensembles of quantum emitters in realistic electromagnetic environments is considered. It relies on balancing computing load of utilized processors and is built into three-dimensional domain decomposition methodology implemented for numerical integration of the Maxwell equations. The approach employed enables directly accessing dynamics of collective effects as the number of molecules in simulations can be drastically increased. Numerical experiments measuring speedup factors demonstrate the efficiency of the proposed methodology. As an example, we consider dynamics of nearly 700,000 diatomic molecules with ro-vibrational degrees of freedom explicitly accounted for coupled to electromagnetic radiation crafted by periodic arrays of split-ring resonators and triangular nanoholes. As an application of the approach, dissociation dynamics under strong coupling conditions is scrutinized. It is demonstrated that the dissociation rates are significantly affected near polaritonic frequencies.
