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[Colloquium] An Efficient Kinetic Monte Carlo Method for Simulating Diffusion-Limited Reactions in Radiobiology

October 13, 2014

Watch Colloquium: 

MOV FILE

  • Date: Tuesday, October 7, 2014
  • Time: 11:00 --- 12:15 PM
  • Place: Dane Smith Hall 125

Speaker: Shaun Bloom, UNM

Dose calculation is an important area of study in the field of radiation chemistry. Modern dose calculation engines track the movements and reactions of radiolytic particles at the molecular level using kinetic Monte Carlo techniques. One such engine, the Geant-DNA Toolkit, uses a kd-tree to assist in solving the bi-chromatic closest pair problem used to determine radiochemical reactions as the simulation progresses. The use of the kd-tree is a bottleneck in K.M.C. codes due to the computational expense associated with insertions and removals of particles in the tree. A new, more efficient algorithm will be presented that is well suited for the case when particles are in motion. The new algorithm makes use of a kinetic data structure and directed acyclic graph of nested particle containers of different sizes (the cells).