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Performance evaluation of ultra-large-scale first-principles electronic structure calculation code on the K computer.

, , , , , , , , , , and . IJHPCA, 28 (3): 335-355 (2014)

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First-principles calculations of electron states of a silicon nanowire with 100, 000 atoms on the K computer., , , , , , , , , and 3 other author(s). SC, page 1:1-1:11. ACM, (2011)Si nanowire FET and its modeling., , , , , , , , and . SCIENCE CHINA Information Sciences, 54 (5): 1004-1011 (2011)Real-space computational methods for linear and nonlinear polarizabilities., , and . J. Comput. Meth. in Science and Engineering, 4 (3): 461-479 (2004)Performance evaluation of ultra-large-scale first-principles electronic structure calculation code on the K computer., , , , , , , , , and 1 other author(s). IJHPCA, 28 (3): 335-355 (2014)Real-time and real-space density functional calculation for electron dynamics in crystalline solids., , , , and . ICCS, volume 4 of Procedia Computer Science, page 852-859. Elsevier, (2011)Efficient Algorithm for Linear Systems Arising in Solutions of Eigenproblems and Its Application to Electronic-Structure Calculations., , , and . VECPAR, volume 7851 of Lecture Notes in Computer Science, page 226-235. Springer, (2012)A massively-parallel electronic-structure calculations based on real-space density functional theory., , , , , , and . J. Comput. Physics, 229 (6): 2339-2363 (2010)