Diffusion-based molecular communication (DMC) with interacting carrier molecules allows exploring a variety of new communication paradigms. Simulating these interactions on a network scale is however hard from an analytic point of view, and continuous detection of which couples of particles may interact is a computationally expensive task. This work proposes different algorithms that allow detecting which particles are interacting. Hierarchical grid based approaches are explored and designed to maximally exploit the parallelism offered by multiple-graphics processing units (multi-GPU) systems. An implementation of the proposed algorithm is compared to some of our previous work in this domain and to a state-of-the-art collision detection library and nanosimulator. Performance tests indicate a speedup of up to a factor 100 compared to the collision detection algorithm implemented in the nanosimulator, and a factor 77 relative to the collision detection library.

具有相互作用的载体分子的基于扩散的分子通讯（DMC）允许探索各种新的通讯范例。然而，从分析的角度来看，很难在网络规模上模拟这些相互作用，并且连续检测哪些粒子对可能相互作用是一项计算量大的任务。这项工作提出了允许检测哪些粒子相互作用的不同算法。探索并设计了基于分层网格的方法，以最大程度地利用多图形处理单元（multi-GPU）系统提供的并行性。将该算法的实现与我们在该领域的一些先前工作以及最新的碰撞检测库和纳米模拟器进行了比较。