A scalable \(O(N)\) algorithm for large-scale parallel first-principles molecular dynamics simulations (Q6486779)
From MaRDI portal
scientific article; zbMATH DE number 6370188
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A scalable \(O(N)\) algorithm for large-scale parallel first-principles molecular dynamics simulations |
scientific article; zbMATH DE number 6370188 |
Statements
A scalable \(O(N)\) algorithm for large-scale parallel first-principles molecular dynamics simulations (English)
0 references
17 November 2014
0 references
linear scaling algorithms
0 references
density functional theory
0 references
Gram matrix inverse
0 references
large scale molecular dynamics
0 references
parallel approximate inverse
0 references
