Kawata M., Nagashima U.
National Institute of Advanced Industrial Science and Technology, JP
Keywords: atomistic simulatoins, membranes, molecular dynamics, nano-structures, surface
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.
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2003 Nanotechnology Conference and Trade Show, Volume 2
Published: February 23, 2003
Pages: 554 - 557
Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics
Topic: Informatics, Modeling & Simulation
ISBN: 0-9728422-1-7