Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory.

Fuyuki Shimojo Rajiv K. Kalia Aiichiro Nakano Priya Vashishta Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory. 151-164 2005 167 Computer Physics Communications 3 http://dx.doi.org/10.1016/j.cpc.2005.01.005 db/journals/cphysics/cphysics167.html#ShimojoKNV05