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Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand., , , , , , , , and . SC, page 661-673. IEEE Computer Society, (2014)MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation., , , , , , , , , and 17 other author(s). SIAM J. Sci. Comput., (2016)Elemental: A New Framework for Distributed Memory Dense Matrix Computations., , , , and . ACM Trans. Math. Softw., 39 (2): 13:1-13:24 (2013)Performance characterization of global address space applications: a case study with NWChem., , , , and . Concurr. Comput. Pract. Exp., 24 (2): 135-154 (2012)GPAW - massively parallel electronic structure calculations with Python-based software., , , and . ICCS, volume 4 of Procedia Computer Science, page 17-25. Elsevier, (2011)Quantum Molecular Dynamics in the Post-Petaflops Era., , , , , , and . Computer, 48 (11): 33-41 (2015)Argonne applications for the IBM Blue Gene/Q, Mira., , , , , , , , , and . IBM J. Res. Dev., 57 (1/2): 12 (2013)Recent performance improvements to the DFT and TDDFT in GAMESS., , , and . J. Comput. Chem., 33 (7): 723-731 (2012)Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture., , , , , , and . Concurr. Comput. Pract. Exp., 27 (1): 69-93 (2015)MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation., , , , , , , , , and 15 other author(s). CoRR, (2015)