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MDSIMAID: Automatic parameter optimization in fast electrostatic algorithms.

, , , and . J. Comput. Chem., 26 (10): 1021-1031 (2005)

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Evaluation of MPI's One-Sided Communication Mechanism for Short-Range Molecular Dynamics on the Origin2000., and . PARA, volume 1947 of Lecture Notes in Computer Science, page 356-365. Springer, (2000)PROTOMOL: A Molecular Dynamics Research Framework for Algorithmic Development., , and . International Conference on Computational Science, volume 2659 of Lecture Notes in Computer Science, page 50-59. Springer, (2003)MDSIMAID: Automatic parameter optimization in fast electrostatic algorithms., , , and . J. Comput. Chem., 26 (10): 1021-1031 (2005)ProtoMol: A Molecular Dynamics Framework with Incremental Parallelization., and . PPSC, (2001)Performance of a parallel split operator method for the time dependent Schrodinger equation., and . PARCO, volume 13 of Advances in Parallel Computing, page 861-868. Elsevier, (2003)ProtoMol, an object-oriented framework for prototyping novel algorithms for molecular dynamics., , , , , , , , and . ACM Trans. Math. Softw., 30 (3): 237-265 (2004)An Object-Oriented Approach to Model Scenes of Buildings., and . Computer Graphics International, page 14-23. IEEE Computer Society, (1998)Parallel multigrid summation for the N-body problem., , and . J. Parallel Distributed Comput., 65 (8): 949-962 (2005)A Parallel Split Operator Method for the Time Dependent Schrödinger Equation., , and . PVM/MPI, volume 2840 of Lecture Notes in Computer Science, page 503-510. Springer, (2003)