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MDSIMAID: Automatic parameter optimization in fast electrostatic algorithms., , , and . J. Comput. Chem., 26 (10): 1021-1031 (2005)Impact of multicores on large-scale molecular dynamics simulations., , , , and . IPDPS, page 1-7. IEEE, (2008)Improved Sampling for Biological Molecules Using Shadow Hybrid Monte Carlo., and . International Conference on Computational Science, volume 3037 of Lecture Notes in Computer Science, page 268-275. Springer, (2004)ProtoMol, an object-oriented framework for prototyping novel algorithms for molecular dynamics., , , , , , , , and . ACM Trans. Math. Softw., 30 (3): 237-265 (2004)Parallel multigrid summation for the N-body problem., , and . J. Parallel Distributed Comput., 65 (8): 949-962 (2005)Experimental Evaluation of Molecular Dynamics Simulations on Multi-core Systems., , , and . HiPC, volume 5374 of Lecture Notes in Computer Science, page 131-141. Springer, (2008)Optimal Utilization of Heterogeneous Resources for Biomolecular Simulations., , , and . SC, page 1-11. IEEE, (2010)Towards microsecond biological molecular dynamics simulations on hybrid processors., , , and . HPCS, page 98-107. IEEE, (2010)Energy efficient biomolecular simulations with FPGA-based reconfigurable computing., , , , and . Conf. Computing Frontiers, page 83-84. ACM, (2010)Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures., , , , , and . Concurr. Comput. Pract. Exp., 25 (10): 1356-1375 (2013)