| * | 2009 |
| 4 | EE | Massimiliano Bonomi,
Davide Branduardi,
Giovanni Bussi,
Carlo Camilloni,
Davide Provasi,
Paolo Raiteri,
Davide Donadio,
Fabrizio Marinelli,
Fabio Pietrucci,
Ricardo A. Broglia,
Michele Parrinello:
PLUMED: A portable plugin for free-energy calculations with molecular dynamics.
Computer Physics Communications 180(10): 1961-1972 (2009) |
| 2008 |
| 3 | EE | Giovanni Bussi,
Michele Parrinello:
Stochastic thermostats: comparison of local and global schemes.
Computer Physics Communications 179(1-3): 26-29 (2008) |
| 2005 |
| 2 | 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) |
| 1 | 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) |