Extraction of analytical potential function parameters from ab initio potential energy surfaces and analytical forces. (Q1862427)
From MaRDI portal
 | This is the item page for this Wikibase entity, intended for internal use and editing purposes. Please use this page instead for the normal view: Extraction of analytical potential function parameters from ab initio potential energy surfaces and analytical forces. |
scientific article; zbMATH DE number 1884796
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Extraction of analytical potential function parameters from ab initio potential energy surfaces and analytical forces. |
scientific article; zbMATH DE number 1884796 |
Statements
Extraction of analytical potential function parameters from ab initio potential energy surfaces and analytical forces. (English)
0 references
19 March 2003
0 references
molecular mechanics
0 references
forcefields
0 references
atomistic simulation
0 references
parameter extraction
0 references
