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Room 122- Just Hall Science
Program Layout:
Time Zonein : Eastern TimeEDT
Tuesday May 9, 2017
910:00 – 9–10:15 am Welcome -Linda Hayden and Jerzy Leszczynski
910:15 – 10– 11:00 am Introduction to Science Gateways Community Institute -Sudhakar Pamidighantam and Linda Hayden
1011:00 – 11:00 am Noon SEAGrid Web and Desktop Portals - Sudhakar Pamidighantam
11Noon - 1:00 – Noon Suresh Marrupm Gateway Middleware Architectures: Apache Airavata – IU Remote Noon – 1Suresh Marru
1:00 – 2:00 pm Lunch Break
12:00 – 23:00 pm Vince Ortiz Orbital Concepts, Propagator Methods and Novel Chemical Bonding in Anions
23:00 – 34:00 pm SEAGrid Hands On Session 1: Using simple application inputs, using Nanocad/Jamberoo Molecular Editor and using a Gaussian and Gamess GUI for job submission
34:00 – 34:15 pm Break
34:15 – 45:15 pm Jerzy Leszczynski, Computational Chemistry: New Approaches to the Old C60 Story
45:15 – 56:00 pm SEAGrid Hands On Session 2: Job Submission, monitoring and post processing, Using the SEAGrid Data portal, Sharing Experiments and Results
56:00 pm Adjourn
78:00 pm Workshop Dinner: Speaker TBD
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