Development of a parallelized Molecular Dynamics simulation code PCMD

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Research in MD simulation

• Development of a parallelized Molecular Dynamics
  simulation code (PCMD)
• suitable for all short-ranged pair potentials
  (L-J, Brenner-like, etc.)
• using link cell concept for partitioning domain
• Using unstructured grid concept, in combination
  with graph partition theory, for dynamic domain
  decomposition to improve the parallel
  performance.
• Applications include sputtering phenomena,
  droplet collision, carbon nanotube related
  simulations, etc.

Copper sputtering
Droplet collision
Droplet condensation (106 atoms)