| Thursday, March 10, 2011 |
| 8:00 - 9:00 |
Registration |
| 9:00 - 10:30 |
Opening and CYFRONET presentation (session S1), Chair: Jacek Kitowski
| 9:00 |
|
Opening, CYFRONET Supercomputers in Support of Modern Research Projects, K. Wiatr |
| 9:25 |
|
PL-Grid: Modern Computing Infrastructure in European Research Space, J. Kitowski and Ł. Dutka |
| 9:45 |
|
High Performance Computers in ACC CYFRONET AGH – what has Changed, the Plans, A. Oziębło |
| 10:00 |
|
Polish Grid Infrastructure – the Research Space for Scientists,
M. Sterzel |
| 10:15 |
|
User-Oriented Extensions to PL-Grid Infrastructure Coming
Soon, T. Szepieniec and M. Radecki |
|
| 10:30 - 11:00 |
coffee |
| 11:00 - 11:45 |
CYFRONET Users' questions and answers
Chairs: Andrzej Oziębło, Mariusz Sterzel, Tomasz Szepieniec |
| 11:45 - 12:45 |
Poster Session, Chair: Zofia Mosurska
| 11:45 |
|
Poster Presentations |
| 12:30 |
|
discussion at Posters |
|
| 12:45 - 14:00 |
lunch |
| 14:00 - 15:00 |
Contributed papers (session S2), Chair: Janusz Orkisz
| 14:00 |
|
Physically Based Approximation of Experimental and Numerical Data, J. Orkisz and J. Magiera |
| 14:20 |
|
Investigation of Dynamic Behavior of Tailings Dam under Mining Shocks,
J. Dulińska |
| 14:40 |
|
Negative Feedback Loop as the Structural and Functional Unit for Simulation of Living Process,
I. Roterman, L. Konieczny, and P. Spolnik |
|
| 15:00 - 15:30 |
coffee and poster session |
| 15:30 - 17:15 |
Contributed papers (session S3), Chair: Mariusz Sterzel
| 15:30 |
|
New Science Gateways for Advanced Computing Simulations and Visualization Using Vine Toolkit in PL-Grid,
P. Dziubecki, P. Grabowski, M. Krysiński, T. Kuczyński, K. Kurowski, T. Piontek, and D. Szejnfeld |
| 15:45 |
|
QosCosGrid – a New Middleware for Large-Scale Parallel Simulations in PL-Grid,
B. Bosak, P. Kopta, K. Kurowski, M. Mamoński, and T. Piontek |
| 16:00 |
|
Experiments in GridSpace Virtual Laboratory – Principles and Examples,
M. Bubak, B. Bali¶, T. Bartyński, E. Ciepiela, W. Funika, T. Gubała, D. Harężlak, M. Kasztelnik, J. Kocot, M. Malawski,
J. Meizner, P. Nowakowski, and K. Rycerz |
| 16:15 |
|
CIS: an Environment for System Level Applications, B. Balis, M. Kasztelnik, M. Bubak,
To. Bartynski, T. Gubała, and P. Nowakowski
|
| 16:30 |
|
Towards an Environment for Multiscale Applications, K. Rycerz,
E. Ciepiela, J. Kocot, M. Nowak, P. Pierzchała,
and M. Bubak |
| 16:45 |
|
Grid Resource Registry – Abstract Layer to Computational Resources, M. Kasztelnik and M. Bubak |
| 17:00 |
|
FiVO/QStorMan: Toolkit for Supporting Data-Oriented Applications in PL-Grid, R. Słota, D. Król, K. Skałkowski, B. Kryza, D. Nikolow, and J. Kitowski |
|
| 19:00 - 21:30 |
|
| Friday, March 11, 2011 |
| 8:30 - 10:30 |
Invited talks, Chair: Marian Bubak
|
| 10:30 - 11:00 |
coffee and snack |
| 11:00 - 12:45 |
Contributed papers (session S4), Chair: Grzegorz Mazur
| 11:00 |
|
Experimental and Theoretical NMR and IR Spectroscopic Studies on the Conformational Properties of the E and Z Isomers of Dehydrophenylalanine Residue, A.M. Buczek, T. Ptak, T. Kupka, and M.A. Broda |
| 11:15 |
|
Toward Reliable Carbon Nanotube (CNT) – Molecular Hydrogen Interaction Modeling via Density Functional Theory (DFT) Analysis of Benzene – H2 System, T. Kupka, M. Stachów, M. Nieradka, L. Stobiński, and P. Nowak |
| 11:30 |
|
From Kohn-Sham Complete Basis Set Limit (CBS) Calculations to CCSD(T)/CBS Estimated Nuclear Magnetic Isotropic Shieldings,
T. Kupka, M. Stachów, M. Nieradka, J. Kaminsky, T. Pluta, and S.P.A. Sauer |
| 11:45 |
|
B3LYP/CBS Calculations of the Anharmonic Vibrational Properties of Water and Formaldehyde in Solution Using the Polarization Consistent Basis Sets, M.A. Broda, A. Buczek, and T. Kupka |
| 12:00 |
|
Activation of Bis(phenoxyimine) Titanium Complexes in the Olefin Polymerization Process: A DFT Study, Z. Flisak |
| 12:15 |
|
Further Improvement of the Glowworm Swarm Optimization Algorithm by Adding
a Conservation of Agent Move Direction,
P. Oramus |
| 12:30 |
|
Semantic Based Storage QoS Management Methodology,
R. Słota, D. Nikolow, and J. Kitowski |
|
| 12:45 - 13:00 |
coffee |
| 13:00 - 14:30 |
Contributed papers (session S5), Chair: Michał Turała
| 13:00 |
|
InSilicoLab – Managing Complexity of Chemistry Computations, D. Harężlak, J. Kocot, K. Noga, M. Sterzel, and T. Szepieniec |
| 13:15 |
|
UPnP-Based Discovery and Management of Hypervisors
and Virtual Machines, S. Zieliński, T. Handzlik, and T. Lewicki |
| 13:30 |
|
Computational Aspects of Multifractal Music, I. Celińska,
S. Drożdż, J. Kwapień, P. O¶więcimka, and R. Rak |
| 13:45 |
|
Analysis of Highly-Parallel Self-Consistent Field Method Implementation,
G. Mazur, M. Makowski, P. KuĽniarowicz, and D. Kuna |
| 14:00 |
|
Strategies for Topology Conservation in the Global Molecule Geometry Optimization Process,
A. Styrcz, J. Mrozek, and G. Mazur |
| 14:15 |
|
MPI/Threads Hierarchical Hybrid Parallel Formulation of Fundamental Quantum-Chemical Algorithms,
G. Mazur, M. Makowski, and D. Kuna |
|
| 14:30 - 14:40 |
Closing |
| 14:40 - 15:30 |
lunch |
|
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