Towards microscale molecular simulations
with high-performance computing
14th-16th October 2009
Dublin, Ireland
|
|
Nanoscale computer simulations can guide the engineering of
nanomaterials and biological systems. Now larger system sizes or
significantly longer sampling times or both are needed to probe,
for example, the collective behaviour of large nanoassemblies,
large-scale structural rearrangements in proteins. Such
calculations require state-of-the-art high-performance
computing (HPC).
This workshop will give current and potential HPC users the
opportunity to discuss scientific and computing issues, with
particular emphasis on molecular dynamics simulations of synthetic
and natural systems for ICT and Bio applications. Early-stage
researchers and experimentalists can learn about the potential and
limitations of HPC while also obtaining hands-on experience
during the tutorial session. A limited number of bursaries worth up to EUR 100
each are available for postgraduate students. This Tyndall/ICHEC/IBM-organised workshop will be held at University College Dublin as part of the ACAM series of workshops.
Confirmed speakers include:
| Walter Kohn, Nobel Laureate 1998 Chemistry |
University of California, Santa Barbara, California, USA |
Electronic Structure of Materials |
| Mark S.P. Sansom |
University of Oxford, UK |
Structural Bioinformatics and Computational Biochemistry |
| Johan Åqvist |
Uppsala University, Sweden |
Computational Chemistry for Structural Biology |
| Alessandro Curioni |
IBM Zurich, Switzerland |
Deep Computing for Materials and Life Sciences |
| Aiichiro Nakano |
University of Southern California, USA |
Collaboratory for Advanced Computing and Simulations (CACS) |
| Giovanni Ciccotti |
University of Rome, Italy |
Computational Physics |
| Philippe Blaise |
CEA-Leti MINATEC, Grenoble, France |
Nanoscale simulation |
| Erik Deumens |
University of Florida, USA |
Quantum Theory Project |
| Xavier Daura |
Autonomous University of Barcelona, Spain |
Biomolecular Modelling |
| Stefano Corni |
University of Modena, Italy |
Theoretical Nanoscience |
Download the poster here.
Workshop Organisers
- Damien Thompson, Tyndall National Institute, Cork, Ireland;
- Jim Greer, Tyndall National Institute, Cork, Ireland;
- Gilles Civario, Irish Center for High-End Computing (ICHEC), Ireland;
- Brendan Boulter, IBM Computational Science Centre, Ireland.
For more information please email damien.thompson at tyndall.ie
|
