Project overview
The expertise at IBM Research - Zurich in computational physics and chemistry with applications in materials science and biochemistry is recognized throughout the world. This activity involves diverse technical steps:
- development of new algorithms,
- code optimization, particularly for massive parallel computing,
- data analysis,
- selected applications aimed at unraveling the physics and chemistry of the systems under investigation,
- virtual design of novel materials for advanced technologies,
- development of interfaces for Grid computing.
The basic computer code used for our calculations are CPMD* and TERSMD**. The code has been optimized for all IBM platforms, particularly Power AIX, power Linux and Blue Gene (L and P) (see parallel computing).
*Car-Parrinello molecular dynamics, © IBM Corp. 1990-2004 and MPI für Festkörperforschung, Stuttgart, Germany, 1997-2001.
**Tersoff based molecular dynamics, © IBM Corp. 2006-2009.
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