ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION (Q3025087)
From MaRDI portal
scientific article
Language | Label | Description | Also known as |
---|---|---|---|
English | ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION |
scientific article |
Statements
ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION (English)
0 references
4 July 2005
0 references
Structural optimization
0 references
molecular dynamics relaxation
0 references
time step adaptation
0 references
spectral estimation
0 references
Lanczos algorithms
0 references