|
|||||
|
|
Ordinary differential equations of molecular dynamics |
|
| Authors: | J.A. McCammon B.M. Pettitt L.R. Scott |
| Abstract: | The ordinary differential equations of Newtonian dynamics are used in atomic simulations with the method of molecular dynamics. The basic issues are surveyed and standard algorithms are described. Several algorithmic variants are discussed. Some advanced ideas relating to parallel computation are considered. |
| Keywords: | Molecular dynamics Atomic simulations Parallel computation |
| 本文献已被 ScienceDirect 等数据库收录！ | |