Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (Q347926)
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: Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines |
scientific article; zbMATH DE number 6659782
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines |
scientific article; zbMATH DE number 6659782 |
Statements
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (English)
0 references
5 December 2016
0 references
molecular dynamics
0 references
electronic structure
0 references
first-principles
0 references
density functional theory
0 references
plane wave pseudopotential
0 references
GPU
0 references
