The Society of HPC Professionals: Lunch & Learn
Thursday, January 27, 2022
12:00 pm - 1:00 pm
About the Event
Emerging hardware tailored for Artificial Intelligence (AI) and Machine Learning (ML) methods provide novel means to couple them with traditional High Performance Computing (HPC) workflows involving molecular dynamics (MD) simulations. Arvind Ramanathan, Ph.D, proposes Stream-AI-MD, a novel instance of applying deep learning methods to drive adaptive MD simulation campaigns in a streaming manner. In addition, we also demonstrate the use of Stream-AI-MD in running multi resolution simulations for understanding the SARS-CoV-2 replication transcription complex.
About the Speaker
Arvind Ramanathan, Ph.D., is a computational biologist in the Data Science and Learning Division at Argonne National Laboratory and a senior scientist at the University of Chicago Consortium for Advanced Science and Engineering (CASE). His research interests are at the intersection of data science, high performance computing and biological/biomedical sciences. Ramanathan obtained his Ph.D. in computational biology from Carnegie Mellon University, and was the team lead for integrative systems biology team within the Computational Science, Engineering and Division at Oak Ridge National Laboratory.