Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models.
Gerald BaumgartnerAlexander A. AuerDavid E. BernholdtAlina BibireataVenkatesh ChoppellaDaniel CociorvaXiaoyang GaoRobert J. HarrisonSo HirataSriram KrishnamoorthySandhya KrishnanChi-Chung LamQingda LuMarcel NooijenRussell M. PitzerJ. RamanujamP. SadayappanAlexander SibiryakovPublished in: Proc. IEEE (2005)