Abstract
A computer-assisted approach that aspires to bridge macrocopic numerical analysis techniques for the cloed equations directly with microscopic/stochastic simulation codes was demonstrated in the Brownian dynamics context. This system-identification-based, computational "closure-on-demand" approach sidesteps the necessity of deriving good explicit closures. It enables state-of-the-art microscopic codes, by wrapping a computational superstructure around them, to perform tasks they were not in principle designed for.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 10149-10156 |
| Number of pages | 8 |
| Journal | Journal of Chemical Physics |
| Volume | 118 |
| Issue number | 22 |
| DOIs | |
| State | Published - Jun 8 2003 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry