Molecular dynamics of clusters of particles interacting with pairwise forces using a massively parallel computer
Abstract
An algorithm is presented for computing the forces on atoms in a free cluster using a massively parallel computer with processing elements connected in a square grid. The method is applied in molecular dynamics simulations of the melting transition in NaF and the plastic phase transformations, as well as melting, in sulphur hexafiuoride.
- Publication:
-
Journal of Computational Physics
- Pub Date:
- October 1988
- DOI:
- 10.1016/0021-9991(88)90057-5
- Bibcode:
- 1988JCoPh..78..405B