DocumentCode
3233594
Title
An improved molecular dynamics algorithm for the larger momentum molecular system
Author
Lin, David T W ; Yang, Ching-yu ; Wang, Ruei-yong ; Hu, Yuh-Chung
Author_Institution
Far East Univ., Taipei
fYear
2008
fDate
6-9 Jan. 2008
Firstpage
397
Lastpage
401
Abstract
This paper presents the new algorithm to modify the Verlet list of the molecular dynamics (MD) and applicable to construct the reasonable calculation of MD in the larger momentum molecular system. The new mechanism of the list updating is controlled by the momentum of each molecule. These results will be benefited to the improvement of MD´s calculation and the reasonable model of the complex molecular system.
Keywords
digital simulation; molecular dynamics method; physics computing; Verlet list; list updating; molecular dynamics algorithm; momentum molecular system; Algorithm design and analysis; Character generation; Computational modeling; Concurrent computing; Heuristic algorithms; Mechanical engineering; Mechatronics; Parallel algorithms; Protein engineering; Systems engineering and theory; Verlet list; modified Verlet list; molecular dynamics;
fLanguage
English
Publisher
ieee
Conference_Titel
Nano/Micro Engineered and Molecular Systems, 2008. NEMS 2008. 3rd IEEE International Conference on
Conference_Location
Sanya
Print_ISBN
978-1-4244-1907-4
Electronic_ISBN
978-1-4244-1908-1
Type
conf
DOI
10.1109/NEMS.2008.4484358
Filename
4484358
Link To Document