HIVE Supercomputer Symposium

Miss the HIVE Supercomputer Symposium? Check out the recording below! 

 

 

This symposium introduced the Hive supercomputer and some of the research being done on it, including simulations of how the coronavirus binds to human cells, how to represent atomistic systems for surface science and catalysis with machine learning models, and how weak interactions influence chemical reactions. 

 

1:00-1:05 Introductory Comments
David Sherrill, Associate Director, IDEaS, Georgia Tech 

1:05-1:10 Welcome
Chaouki Abdallah, Executive Vice President for Research, Georgia Tech

1:10-1:20 The Institute for Data Engineering and Science (IDEaS)
Srinivas Aluru, Executive Director, IDEaS, Georgia Tech

1:20-1:30 The Atlanta University Center Consortium Data Science Initiative
Talitha Washington, Director, AUCC Data Science Initiative 

1:30-1:50 The Hive Supercomputer
Neil Bright, Associate Director for Research Cyberinfrastructure, PACE | Semir Sarajlic, Team Lead for Outreach and Faculty Interaction, PACE 

1:50-2:10 Automated identification of critical interactions for coronavirus S protein binding to ACE2
J.C. Gumbart, School of Physics, Georgia Tech

2:10-2:30 p.m.  Gaussian Multipole Features: An efficient framework for representing many-element atomistic systems in machine-learning models
A.J. Medford, School of Chemical and Biomolecular Engineering, Georgia Tech

2:30-2:50 p.m.  Modeling weak interactions in chemical reactions
Wallace Derricotte, Department of Chemistry, Morehouse College

2:50-3:00 p.m. How to Access Hive 
Neil Bright, Associate Director for Research Cyberinfrastructure, PACE | Semir Sarajlic, Team Lead for Outreach and Faculty Interaction, PACE