𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Optimization by direct search and systematic reduction of the size of search region

✍ Scribed by Rein Luus; T. H. I. Jaakola

Publisher
American Institute of Chemical Engineers
Year
1973
Tongue
English
Weight
719 KB
Volume
19
Category
Article
ISSN
0001-1541

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Automatic parameterization of force fiel
Automatic parameterization of force field by systematic search and genetic algorithms
✍ Junmei Wang; Peter A. Kollman πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 142 KB

## Abstract Parmscan is an automatic engine for force‐field parameterization. In this work, we applied both systematic search (SS) and a genetic algorithm (GA) to optimize the force‐field parameters (bond length, bond angle, as well as torsional angle terms) to reproduce the relative energies of co