Nanotechnology Conference and Trade Show - Nanotech 2006
> Program > Technical Conferences > Business & Development > Nano Impact Workshop > Nanotech Job Fair > Expo
Program
Sessions
Sunday
Monday
Tuesday
Wednesday
Thursday
Index of Authors
Index of Keywords
Confirmed Speakers
Conferences & Symposia

Conference Proceedings

Conference Technical Proceedings

A Generalized Cell-Listing Reduction for Molecular Dynamics Simulation

F.B. Hsiao and D.B. Wang
National Cheng Kung University, TW

Keywords:
molecular dynamics simulation, reduction scheme

Abstract:
The required computation time to solve problems in nano or sub-micron time/ space scale consumes from several to decades of days even with workstation or clusters. Except for parallel computation, no algorithm or scheme has been proposed to accelerate the computation speed in recent years.
For large atom system, cell-listing method spends the least time due to its computation consumption increasing linearly with total number of atom. Based on the traditional cell-listing method, this study proposes a generalized version which could raise the computation speed to more than three times what the traditional one holds without any information loss caused by artificial manipulation. To provide a comprehensive view, the time consumption of the proposed method is also compared with other existing schemes herein.
The proposed reduction algorithm could be applied to large molecular system as well as multi-scale modeling problems to save considerable computation time.

Back to Program

Sessions Sunday Monday Tuesday Wednesday Thursday Authors

Nanotech 2006 Conference Program Abstract

 
Nanotechnology Conference | Terms of use | Privacy policy | Contact | NSTI Home
Program | Technical Conferences | Business & Development | Nano Impact Workshop | Nanotech Job Fair | Expo |
Nanotech 2006 Home | Press Room | Venue | Subscribe | Site Map
Names, and logos of other organizations are the property of those organizations and not of NSTI.
This event is not open to the general public and NSTI reserves the right to refuse admission and participation to any individual.