I do work in theoretical chemistry on a high performance cluster, often involving molecular dynamics simulations. One of the problems my work addresses involves a static field of N-dimensional (typically N = 2-5) hyper-spheres, that a test particle may collide with. I'm looking to optimize (read: overhaul) the the data structure I use for representing the field of spheres so I can do rapid collision detection. Currently I use a dead simple array of pointers to an N-membered struct (doubles for each coordinate of the center) and a nearest-neighbor list. I've heard of oct- and quad- trees but haven't found a clear explanation of how they work, how to efficiently implement one, or how to then do fast collision detection with one. Given the size of my simulations, memory is (almost) no object, but cycles are.

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