| 2005 |
|---|
| 3 | EE | Joost VandeVondele,
Matthias Krack,
Fawzi Mohamed,
Michele Parrinello,
Thomas Chassaing,
Jürg Hutter:
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach.
Computer Physics Communications 167(2): 103-128 (2005) |
| 2 | EE | Matthew J. McGrath,
J. Ilja Siepmann,
I-Feng W. Kuo,
Christopher J. Mundy,
Joost VandeVondele,
Michiel Sprik,
Jürg Hutter,
Fawzi Mohamed,
Matthias Krack,
Michele Parrinello:
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles.
Computer Physics Communications 169(1-3): 289-294 (2005) |
| 1 | EE | Jürg Hutter,
Alessandro Curioni:
Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD code.
Parallel Computing 31(1): 1-17 (2005) |
