Detailed Program
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Contents |
Workshop Agenda
Note that
- for 15 minutes presentation: 10 minutes for presentation + 5 minutes for questions and research issues discussion.
- for 30 minutes presentation: 20 minutes for presentation + 10 minutes for questions and research issues discussion.
- Each presentation should have 1 slide to summarize/propose research issues and topics to be discussed.
- For the discussion, pls. send us your topics if you have.
8 Jan, 2009
9:30-10:00 Gathering
10.00-10.05 Welcome and Introduction
Session 1:
10:05 - 10:30 Service-oriented Science - Novel Challenges in Computational Science and Engineering , Schahram Dustdar, TU Wien
10:30 - 10:45 Introduction to the Research Lab Computational Technologies and Applications, Manfred Mücke, Univ. Wien
10:45-11:00 Software Infrastructures and Algorithms for HPC, Siegfried Benkner, Univ. Wien
11:00-11:15 Data intensive computing: an update from industry, Eno Thereska, Microsoft Research Cambridge, UK
11:15 - 11:30 Coffee break
Session 2
11:30-11:45 Interactions of organic pollutants with soil components - elucidating mechanisms on a molecular level, Martin H. Gerzabek, Daniel Tunega, BOKU
11:45-12:00 DFT studies on electron transport in molecular electronics, Robert Stadler, Univ. Wien
12:00-12:15 Static and Dynamic Properties in Systems of Soft Matter, Julia Fornleitner, TU Wien
12:15-12:30 View-based SOA, Uwe Zdun, TU Wien
12:30-13:30 Lunch
Session 3
13:30-13:45 High Performance CFD using parallel Open Source Finite elements Solvers, Michael Harasek, Andreas Horvath, TU Wien
13:45-14:00 ANTARES - A numerical Tool for Astrophysical Research, Herbert J. Muthsam, Univ. Wien
14:00-14:15 Computational aspects of dynamical mean field theory, Karsten Held, TU Wien
14:15-14:30 On the collective networks or ionic liquid/water mixtures, Christian Schröder, Univ. Wien
14:30-14:45 Parallel Computing in Molecular dynamics and Monte Carlo Simulation, Christoph Dellago, Uni Wien
14:45-15:00 Coffee break
Discussion 1
15:00-16:00 Parallel Group Discussion 1
- Topics
* General topics (from the call)
* Topics gathered from Sessions 1,2,3
* Some specific questions
- Which problems are solved by "traditional ways", such as acquiring more computing power, which are for this workshop?
- Sharing research platforms and results: how can we break the traditional way (share source code, algorithms),
for example, is it possible to share application capabilities via service-oriented model?
- What are "ecosystem services" for CSE that can be shared?
16:00- 16:15 Coffee Break
Session 4
16:15-16:30 FE of Human Bones, D.H. Pahr, TU Wien
16:30-16:45 HPC Application Evolutionary Bioinformatics, Heiko Schmidt, Uni. Wien
16:45-17:00 Application of Cluster Environments for Atmospheric Modelling, Irene Schicker, BOKU
17:00-17:15 Selected Challenges in the Analysis of Large Data Sets in Bioinformatics, David P. Kreil, Boku
17:15-17:30 Physics of non-linear and complex systems, Stefan Nagele, TU Wien
Discussion 2
17:30-18:30 Parallel Group Discussion 2
- Topics
* General topics (from the call)
* Topics gathered after Session 4
* Some specific questions
- What types of data can be shared for multiple-disciplinary research?
- How to simplify the data management job for CSE scientists: the role of cloud computing
model and service-oriented data integration
- Data sharing and exchange: can service-oriented technologies help?
- Support efficient exploratory data analysis with domain-specific data mashup?
End of the first day
19:00-21:00 Diner
21:00 - Ad-hoc collaboration discussion
9 Jan 2009
Session 5
8:30 - 8:45 Vienna Science Chair, Martin Wendland, Boku
8:45-9:00 Simulation Activities in Austrian Competence center for Tribology, A Vernes, AC2T GmbH
9:00-9:15 Simulation of QCD on the Lattice, Manfried Faber et al., TU Wien
9:15-9:30 Astrophysical Flow Simulations as High Performance Computing Applications, Friedrich Kupka, MPI und Univ. Wien
9:30-9:45 Simulation (makro)molekularer systeme, M.G. Fröhlich, Univ. Wien
9:45-10:00 Coffee break
Parallel Group Discussion 3
10:00-11:00 Discussion 3
- Topics
* General topics (from the call)
* Topics gathered after Session 5
* Some specific questions
- The role of workflows, computational and data services in large-scale simulation?
- Internal and external views of computational services and data services in simulations
- What are the role of collaborative teamwork and its impact on collaboration working
environments supporting large-scale simulations
Session 6
11:00-11:15 Computational Materials Science with the WIEN2K code, P. Blaha, TU Wien
11:15-11:30 Computational of Materials Properties, Peter Mohn/Josef Redinger, TU Wien
11:30-11:45 A code package for large scale simulations or correlated few-particle quantum dynamics, Armin Scrinzi, TU Wien
11:45-12:00 Adsorption of solute (bio)molecules on solid surfaces, Sabine Leroch, BOKU
12:00-12:15 From Schroedinger equation to materials modelling, Georg Kresse, Uni. Wien
12:30-13:30 Lunch
Parallel Group Discussion 4
13:45-14:45 Discussion 4.
- Topics
* General topics (from the call)
* Topics gathered after Session 6
* Some specific questions
- Do domain-specific modeling and engineering techniques for CSE help?
- How software engineering techniques can help to adapt code to different platforms?
- Domain-specific languages for specifying interactions in models inherent in CSE applications?
14:45-15:00 Coffee break
Closing Session
15:00-15:15 Summary, Schahram Dustdar
15:15-16:00 What are next steps?
- Setting up an exchange platform ? (forum, wiki, mailing list)
- Next workshop?
- Curriculum for Master/PhD CSE programs?
- etc.
End of the workshop.
