Agenda & Presentations

EU-IndiaGrid2 Material Science, Climate Change and Interoperability Workshops

13-16 December 2010

Bharti school of Telecommunication Technology & Management

IIT Delhi

Monday 13 December

10:00 -11:00 Registration
11:00 Workshop Start

Workshop Introduction SK Dash, IIT Delhi & Stefano Cozzini, CNR/IOM and ICTP

NKN Technical Overview, R.S.Mani, Project Implementation Unit at NIC, New
Delhi

Track 1: Material Science Workshop
Material Science Session 1: NMR techniques for Material Science and Life Science

Chair: D. Kanhere, University of Pune

Introduction to Solid State NMR Spectroscopy: Application to Biomedical Problems - Neeraj Sinha Centre of Biomedical Magnetic Resonance

Determination of NMR chemical shifts from first principles - Emine Kucukbenli, SISSA

The we-nmr project: A worldwide e-Infrastructure for NMR and structural biology - Marco Verlato, INFN

Remote usage of PX Beamlines - M. V. Hosur BARC

Pulses and Proteins in NMR-Perspectives from TIFR NMR group - P.K. Madhu, TIFR

Quantum chemistry calculations for NMR data on organic molecules - Peter Murray-Rust University of Cambridge

Tuesday 14 December

Track 1: Workshops
Material Science Session2 : A semantic infrastructure for computational materials science
Chair: Peter Murray-Rust, Cambridge University
Introduction to semantic chemistry and materials science - Peter Murray Rust

Software Installation (1 hour)

Track 2: Tutorial
RegCM Tutorial
Running RegCM simulation: input/output

Quantum/Espresso on the Grid - Layla Martin Samos Colomber CNR/IOM Democritos

Running examples
Materials Grid and eMinerals - Martin Dove, University of Cambridge

Analysing RegCM outputs

Dictionary design and implementation (PMR)

Further examples

Graphene to Graphane defect induced mid gap state-  D.  Kanhere, University of Pune

Distributed Genetic Algorithms for Protein Structure Optimization On Grid - V.Sundararajan, C-DAC Pune

Summary of progress and results

Using RegCM on the Garuda infrastructure

Wednesday 15 December

Workshop on Climate Research
Climate Research Session 1
Chair: S.K. Dash, IIT Delhi

Introduction to the workshop – S.K. Dash

Regional climate model simulation for 21st century in Africa: Comparison analysis of nested and driving model results - Laura Mariotti, ICTP

Porting RegCM4 on the EUIndia Grid - M.Scarcia, ICTP and eLab

Climate Research Session 2
Chair: Stefano Cozzini, CNR/IOM and ICTP

Introduction, Stefano Cozzini

Coupled Climate Models on Grids - Ravi S Nanjundiah, Indian Institute of Science

RegCM monsoon simulations on the GARUDA Grid - S.K. Dash

Climate Research Session 3
Lab Session

EU-India Grid2 Project Board Meeting (Closed meeting)

Pre-onset land surface processes and ‘internal’interannual variabilities of the Indian summer monsoon - Subhadeep Halder, Indian Institute Of Tropical Meteorology

Results with downscaled ECHAM5 A1B scenario data using RegCM3 from 1971 to 2100 and used it for Cauvery Delta zone of Tamilnadu to predict future rice yields - Dr. Jagannath Ramasamy, Tamil Nadu Agricultural University

Impact of land use & land cover change on regional climate S. Nayak, IIT Kharagpur

Thursday 16 December

Track 1: Workshop on Interoperability
Chairs: Sergio Fantinel, INFN & Subrata Chattopadhyay, C-DAC

Interoperability: The Status of the European Grid Infrastructures - Sergio Fantinel, INFN
Interoperability among Grids - Subrata Chattopadhyay, C-DAC

Interoperability activities accomplished - Shamjith K V & K. Kalaiselvan, CDAC, Bangalore

EU-IndiaGrid connectivity on the NKN & TEIN3 scenario- TBC
Open Discussion

gLite/Garuda interoperability Status
Open discussion