TY - RPRT TI - A Scalable O(N) Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations AU - Osei-Kuffuor, Daniel AU - Fattebert, Jean-Luc PY - 2014 DO - 10.1137/140956476 UR - https://www.osti.gov/biblio/1165754 ID - 1165754 ER -