American Chemical Society (ACS) Workshop on Science Gateways

American Chemical Society
Venue & Agenda
Presentation: Welcome, Sudhakar Pamidighantam, Indiana University
Presentation: SEAGrid Science Gateway, Sudhakar Pamidighantam, Indiana University
Presentation: Apache Airavata Open Source Framework, Marcus Christie, Indiana University
SEAGrid User Tutorial, Sudhakar Pamidighantam, Indiana University
- Create SEAGrid account
- Download SEAGrid desktop client
- Exercise 1: Use Jamberoo Editor and build Gamess input
- Exercise 2: Use Nanocad editor to search Molecules for PSI4, Molcas and NWchem
- Exercise 3: Use Jamberoo Editor and build Gaussian input
- Application test files: Tutorial input files
Build a sample gateway using Apache Airavata Open Source Framework, Marcus Christie & Sudhakar Pamidighantam, Indiana University
- Demo gateway list
- Presentation: Building a gateway with Apache Airavata
- Exercise 1: Adding NWChem application in to the gateway