| dc.contributor.author |
Nguyen, Hai Chau |
|
| dc.date.accessioned |
2011-04-20T03:57:24Z |
|
| dc.date.available |
2011-04-20T03:57:24Z |
|
| dc.date.issued |
2007 |
|
| dc.identifier.citation |
VNU Journal of Science, Mathematics - Physics 23 (2007) 1-8 |
vi |
| dc.identifier.issn |
0866-8612 |
|
| dc.identifier.uri |
http://hdl.handle.net/123456789/872 |
|
| dc.description |
VNU Journal of Science, Mathematics - Physics. Vol. 23 (2007), No 1 (M.P), P. 1-8 |
vi |
| dc.description.abstract |
We have developed a new formulation for fast calculation of far-field force of
fast multipole method (FMM)in molecular dynamics simulations. FMM is a linear algorithm
to calculate force for molecular dynamics simulations. GRAPE is a special-purpose computer
dedicated to Coulombic force calculation. It runs 100-1000 times faster than normal computer
at the same price. However FMM cannot be implemented directly on GRAPE. We have
succeeded to implement FMM on GRAPE and developed a new formulation for far-field force
calculation. Numerical tests show that the performance of FMM using our new formulation
on GRAPE is approximately 2-5 times faster than that of FMM using conventional far field
formulation. |
vi |
| dc.language.iso |
en |
vi |
| dc.publisher |
ĐHQGHN |
vi |
| dc.subject |
formulation |
vi |
| dc.subject |
fast calculation |
vi |
| dc.subject |
molecular dynamics simulations |
vi |
| dc.title |
A new formulation for fast calculation of far field force in molecular dynamics simulations |
vi |
| dc.type |
Article |
vi |