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 | Nanotech 2003 Vol. 2
Technical Proceedings of the 2003 Nanotechnology Conference and Trade Show, Volume 2
Chapter 12: Computational Methods and Numerics |
| | Fast, Accurate Molecular Dynamics Simulations for Surfaces and Membranes | | Authors: | M. Kawata and U. Nagashima | | Affilation: | National Institute of Advanced Industrial Science and Technology, JP | | Pages: | 554 - 557 | | Keywords: | molecular dynamics, membranes, nano-structures, surface, atomistic simulatoins | | Abstract: | We have developed new fast method for calculating the accurate Coulomb interactions for quasi-2D systems and implemented in the MD calculations. We present the details of the computational steps to implement the 2D-PME method, focusing on the acceleration techniques and difference between the 3D-PME and the 2D-PME methods, and the implementation in the MD simulations including parallelization. |  | View paper | | ISBN: | 0-9728422-1-7 |
| Pages: | 600 |
| Hardcopy: | $125.00 |
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