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Tuesday May 9, 2017
9:00 - 9– 9:15 am Welcome -Linda Hayden and Jerzy Leszczynski
9:15 - – 10:00 am Introduction to Science Gateways Institute -Sudhakar Pamidighantam and Linda Hayden
10:00 – 11:00 am SEAGrid Web and Desktop Portals - Sudhakar Pamidighantam
11:00 - Noon – Noon Suresh Marru Gateway Middleware Architectures: Apache Airavata – IU Remote
Noon -1– 1:00 pm Lunch Break
1:00 – 2:00 pm Vince Ortiz Orbital Concepts, Propagator Methods and Novel Chemical Bonding in Anions
2:00 – 3:00 pm SEAGrid Hands On Session 1 Using simple application inputs and Nanocad/Jamberoo Molecular Editor and using a Gaussian and Gamess Gui and job submission
submission
3:00 – 3:15 pm Break
3:15 – 4:15 pm Jerzy Leszczynski, Computational Chemistry: New Approaches to the Old C60 Story
4:15 – 5:00 pm SEAGrid Hands On Session 2 Job Submission, monitoring and post processing, Using the SEAGrid Data portal, Sharing Experiments and Results
5PM Results
5:00 pm – Adjourn
7:00PM Workshop 00 pm – Workshop Dinner: Speaker TBD
Wednesday May 10, 2017
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