Massively Parallel Reactive and Quantum Molecular Dynamics Simulations
Priya D. Vashishta · Bulletin of the American Physical Society · 2015
Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering & Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, CA 90089-0242, USA Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, IL 60439, USA Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan