EGEE User Forum

Session

1d: Computational Chemistry - Lattice QCD - Finance

1 Mar 2006, 14:00

CERN

70. Grid computation for Lattice QCD

Dr Giuseppe Andronico (INFN SEZIONE DI CATANIA)

01/03/2006, 14:15

Computational Chemistry - Lattice QCD - Finance

Oral contribution

This is the first use of the GRID structure to an expensive QCD lattice calculation performed under the VO theophys. It concerns the study on the lattice of the SU(3) Yang-Mills topological charge distribution, which is one of the most important non pertubative features of the theory. The first moment of the distribution is the topological susceptibility, which enters in the...

75. SALUTE – GRID Application for problems in quantum transport

Prof. Aneta Karaivanova (IPP-BAS)

01/03/2006, 14:30

Computational Chemistry - Lattice QCD - Finance

Oral contribution

Authors: E. Atanassov, T. Gurov, A. Karaivanova and M. Nedjalkov Department of Parallel Algorithms Institute for Parallel Processing - Bulgarian Academy of Sciences E-mails:{emanouil, gurov, anet, mixi}@parallel.bas.bg Abstract body: SALUTE (Stochastic ALgorithms for Ultra-fast Transport in sEmiconductors) is an MPI Grid application developed for solving...

77. The EGRID facility

Dr Stefano Cozzini (CNR-INFM Democritos and ICTP)

01/03/2006, 15:00

Computational Chemistry - Lattice QCD - Finance

Oral contribution

The EGRID project aims at implementing a national Italian facility for processing economic and financial data using computational grid technology. As such, it acts as the underlying fabric on top of which partner projects, more strictly focused on research in itself, develop end-user applications. The first version of the EGRID infrastructure has been in operation since October 2004....

105. The Molecular Science challenges in EGEE

Osvaldo Gervasi (Department of Mathematics and Computer Science, University of Perugia)

01/03/2006, 15:30

Computational Chemistry - Lattice QCD - Finance

Oral contribution

The understanding of the behavior of molecular systems is important for the progress of life sciences and industrial applications. In both cases is increasingly necessary to perform a study of the relevant molecular systems by using simulations and computational procedures which heavily demand computational resources. In some of these studies it is mandatory to put together the resource...

104. On the development of a grid enabled a priori molecular simulator

Antonio Lagana` (1Department of Chemistry, University of Perugia)

01/03/2006, 15:45

Computational Chemistry - Lattice QCD - Finance

Oral contribution

We have implemented on the production grid of EGEE GEMS.0, a demo version of our Molecular processes simulator that deals with gas phase atom diatom bimolecular reactions. GEMS.0 takes the parameters of the potential from a data bank and carries out the dynamical calculations by running quasiclassical trajectories [1]. A generalization of GEMS.0 to include the calculation of ab initio...

82. An Attempt at Applying EGEE Grid to Quantum Chemistry

Dr Mariusz Sterzel (Academic Computer Centre "Cyfronet")

01/03/2006, 16:30

Computational Chemistry - Lattice QCD - Finance

Oral contribution

The EGEE Grid Project enables access to huge computing and storage resources. Taking this oportunity we have tried to identyfie chemical problems that could be computed in this environment. Some of the results considered within this work are presented with description focused on requirements for the computational enviroment as well as techniques of Grid-enabling computations based on...