A Scalable O(N) Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations

Daniel Osei-Kuffuor, Jean-Luc Fattebert. A Scalable O(N) Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations. SIAM J. Scientific Computing, 36(4), 2014. [doi]

Abstract

Abstract is missing.