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Improving Communication Performance of Sparse Linear Algebra for an Atomistic Simulation Application.

, , and . PARCO, volume 25 of Advances in Parallel Computing, page 405-414. IOS Press, (2013)

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Porting of the DBCSR library for Sparse Matrix-Matrix Multiplications to Intel Xeon Phi systems., , , , , and . CoRR, (2017)Improving Communication Performance of Sparse Linear Algebra for an Atomistic Simulation Application., , and . PARCO, volume 25 of Advances in Parallel Computing, page 405-414. IOS Press, (2013)Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach, , , , , and . Computer Physics Communications, 167 (2): 103 - 128 (2005)Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles., , , , , , , , , and . Comput. Phys. Commun., 169 (1-3): 289-294 (2005)DBCSR: A Blocked Sparse Tensor Algebra Library., , , and . PARCO, volume 36 of Advances in Parallel Computing, page 331-340. IOS Press, (2019)Increasing the Efficiency of Sparse Matrix-Matrix Multiplication with a 2.5D Algorithm and One-Sided MPI., , , and . PASC, page 3:1-3:9. ACM, (2017)Car-Parrinello Molecular Dynamics Simulations of CaCl2 Aqueous Solutions, , and . Journal of Chemical Theory and Computation, 4 (5): 779-789 (2008)A hybrid Gaussian and plane wave density functional scheme., , and . Molecular Physics, 92 (3): p477 - 488 (1997)