Name
Abstract | ||
|---|---|---|
A short overview is presented of the density functional theory and molecular dynamics (DFT–MD) method and of a code (CPMD) based on a plane wave scheme. Its power is shown through the survey of specific applications to diverse frontier areas of chemistry and materials science that make use of parallel computing. |
Year | DOI | Venue |
|---|---|---|
2000 | 10.1016/S0167-8191(00)00014-4 | Parallel Computing |
Keywords | Field | DocType |
computational materials science,ab initio methods,parallel computing,molecular dynamics,new advance,computational chemistry,materials science,electronic structure,molecular dynamic,plane waves,density function theory,parallel computer | Car–Parrinello molecular dynamics,Computer science,Parallel computing,Computational science,Density functional theory | Journal |
Volume | Issue | ISSN |
26 | 7-8 | Parallel Computing |
Citations | PageRank | References |
11 | 3.50 | 0 |
Authors | ||
2 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Wanda Andreoni | 1 | 24 | 6.16 |
| Alessandro Curioni | 2 | 279 | 39.87 |