Abdus Salam International Centre for Theoretical Physics

Introduction to Grid Infrastructures . . 1
How to Port Applications on Grid: A Short Review . . 15
GRIDSEED: A Virtual Training Grid Infrastructure . . 39
Porting Applications to the Grid . . 55
On the Structuring of a Molecular Simulator as a Grid Service . . 63
Ab Initio Electronic Structure Computations on EGEE Grid . . 83
Q5Cost Format and Library: A Tutorial About the Common Format for Quantum Chemistry Interoperability . . 103
Protein Folding by Bias Exchange Metadynamics on a Grid Infrastructure . . 125
On the Grid Implementation of a Quantum Reactive Scattering Program . . 145
Calculation of Phonon Dispersions on the Grid Using Quantum ESPRESSO . . 163
Exploiting Grids for Applications in Condensed Matter Physics . . 187
Implementation of a Semiclassical Initial Value Representation Code
on the Grid to Calculate Rate Coefficients of Atom Diatom Reaction . . 203