DGP: Dynamic grouping of particles for parallel molecular dynamics simulations
โ Scribed by Yoshiaki Takai; Hironori Emaru; Tsuyoshi Yamamoto
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 321 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0882-1666
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Molecular dynamics simulations for nanometer scale polyethylene (PE) particles generated with up to 12000 atoms are presented to gain insight into some thermodynamic properties of ultra fine polymer powders. By computing molecular volume and total energy as a function of temperature, we obtained mel
computer. The force is calculated with sufficient accuracy for practical MD simulations. The processor also calculates virials simultaneously with forces for use in the calculation of pressure, accommodates periodic boundary conditions, and can be used in Ewald summations. An MD Engine system consis