| 9:00 | Welcome (Xavier Gonze) |
|
| 9:05 | Open source software for microscopic simulations 2001 (Gilles Zerah) |
|
| 9:30 | Georg Greve: (GNU) |
|
| 10:20 | Coffee | |
| 10:50 | Ari P. Seitsonen: CP2K: flexible framework for atomistic simulations |
|
| 11:20 | Discussion I: Suggestions for discussion topics | |
| 12:00 | Lunch | |
| 14:00 | Xavier Gonze: The ABINIT software project |
|
| 14:30 | Paolo Giannozzi: The PWSCF package |
|
| 15:00 | Jose Luis Martins: Pseudopotential generation and cpw2000 plane-wave code |
|
| 15:30 | Coffee | |
| 16:00 | Karsten W. Jacobsen: The CAMP Open Software project |
|
| 16:30 | Miguel Marques: Octopus: a first-principles tool for electron-ion dynamics |
|
| 17:00 | Discussion II |
| 9:00 | Paul F. Dubois: Key techniques for success in open-source science |
|
| 9:50 | Konrad Hinsen: The Molecular Modelling Toolkit |
|
| 10:20 | Coffee | |
| 10:50 | David van der Spoel: GROMACS |
|
| 11:20 | Discussion III | |
| 12:00 | Lunch | |
| 14:00 | Stefan Goedecker: A parallel FFT and a parallel interatomic potential for silicon |
|
| 14:30 | Jens Jørgen Mortensen: Development of Atomic Simulation Tools using Python and C++ |
|
| 15:00 | Eric Sonnendrucker: Using Python for intense particle beams simulations |
|
| 15:30 | Coffee | |
| 16:00 | Mark Tuckerman: PINY_MD |
|
| 16:30 | Discussion IV |
| 9:00 | Graeme Henkelman: Distributed applications for long time scale simulations of solid systems |
|
| 9:30 | Laxmikant Kale: Charm++, NAMD, LeanMD and Parallel Frameworks |
|
| 10:00 | Jose Carlos Pereira: The molecular viewer GAMGI |
|
| 10:30 | Coffee | |
| 11:00 | Frans Slothouber: Automating Software Documentation with ROBODoc |
|
| 11:30 | Rob Bisseling: Mondriaan, partitioning software for sparse matrix computations |
|
| 12:00 | Lunch | |
| 14:00 | Discussions |