C. Sagui, T. Darden, Multigrid methods for classical molecular dynamics simulations of biomolecules, J. Chem. Phys. 114 (15) (2001) 6578--6591. Home/Search Document Not in Database Summary Related Articles Check |
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Framework Design, Parallelization and Force Computation in.. - Matthey (Correct)
....equation is solved directly using FFT. The advantage is that the energy part can be evaluated directly in the reciprocal space thereby avoiding a reverse FFT. The forces require only a local summation over the grid since the density of the Gaussian screening function is highly localized. In [100], the Poisson equation is solved by a multi grid approach (O(N) The particle particle particle mesh multi pole expansion [104] P M PME, O(N log N) is basically an extension of the P M [54] method for periodic boundary conditions using multi pole expansions. The cell multi pole method ....
C. Sagui and T. Darden. Multigrid methods for classical molecular dynamics simulations of biomolecules. J. Chem. Phys., 114(15):6578-- 6591, 2001.
Auxiliary field simulation and Coulomb's Law - Maggs Rottler Laboratoire (Correct)
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C. Sagui, T. Darden, Multigrid methods for classical molecular dynamics simulations of biomolecules, J. Chem. Phys. 114 (15) (2001) 6578--6591.
Parallel multigrid summation for the N-body problem - Izaguirre, Matthey (2004) (Correct)
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C. Sagui, T. Darden, Multigrid methods for classical molecular dynamics simulations of biomolecules, J. Chem. Phys. 114 (15) (2001) 6578--6591.
Targeted Mollified Impulse - A Multiscale Stochastic.. - Ma, Izaguirre (2003) (Correct)
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C. Sagui and T. Darden. Multigrid methods for classical molecular dynamics simulations of biomolecules. J. Chem. Phys., 114(15):6578--6591, 2001.
Novel Multiscale Algorithms for Molecular Dynamics - Ma (2003) (Correct)
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C. Sagui and T. Darden. Multigrid methods for classical molecular dynamics simulations of biomolecules. J. Chem. Phys., 114(15):6578--6591, 2001.
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