Publication - Journal Article Hard scaling challenges forab initiomolecular dynamics capabilities in NWChem: Using 100,000 CPUs per second DOI https://doi.org/10.1088/1742-6596/180/1/012028 Journal Article Journal of Physics: Conference Series, vol. 180, pp. 012028, 2009 Authors Eric J Bylaska, Kevin Glass, Doug Baxter, Scott B Baden, John H Weare Language English
