RCE 31: lammps Clasical Molecular Dynamics
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Brock Palen and Jeff Squyres speak with Steve Plimpton about the classical MD code Lammps. Steve Plimpton is a staff member at Sandia National Laboratories, a US DOE laboratory, where he's been a member of the Computation, Computers, Information, and Mathematics center for the past 20 years, currently in the Scalable Algorithms group. His work involves implementing and using scientific simulations designed for parallel supercomputers. Often this includes the creation of efficient parallel algorithms; see http://www.sandia.gov/~sjplimp. He has written and distributes a variety of open-source software, including molecular dynamics, kinetic Monte Carlo, and biological cell simulators, as well as a MapReduce library written on top of MPI. |