WEBINAR SERIES
AI Accelerated Genomics and Drug Discovery
As research and clinical healthcare organizations formulate and implement HPC and AI strategies to fight COVID-19, planning for the proper compute infrastructure is essential. NVIDIA DGX A100 is the universal system for all AI workloads, offering unprecedented compute density, performance, and flexibility in the world’s first 5 petaFLOPS system. This technical talk will detail DGX A100’s new features, architecture design, and performance benchmarks for intensive healthcare and life science workloads. We will include examples, such as AI training, inference, sequencing, molecular dynamics, and quantum chemistry workloads.
Pradeep Kumar Gupta
Global Director, Solutions Architecture and Engineering, AI Industries
NVIDIA
Pradeep Gupta is director of the Solutions Architecture and Engineering team at NVIDIA. He is responsible for running technical customer engagements for industries like autonomous driving, healthcare, and telecoms where AI is transforming many possible aspects of industry solutions. His focus is on building production-grade AI that can be deployed in life-critical systems. Previously, Pradeep worked in areas like high-performance computing, computer vision, mathematical library development, and data center technologies.
Tinker-HP is an evolution of the popular Tinker computer software application for molecular dynamics simulation, which conserves its simplicity of use and reference double precision implementation for CPUs. It’s tailored for multiscale simulations of large complex systems with advanced point dipole polarizable force.
At Sorbonne University in Paris, France, a team of researchers have developed the massively parallel Tinker-HP simulation package to power new generation polarizable force field molecular dynamics. In this webinar, the research team's leader, Professor Jean-Philip Piquemal, will take you through how they’re mobilizing Tinker-HP to model various viral proteins and perform free energy simulation of potential drugs in the context of COVID-19.
Jean-Philip Piquemal
Professor of Theoretical Chemistry at Sorbonne Université and Director of the Laboratoire de Chimie Théorique (LCT)
Jean-Philip Piquemal is a Professor of Theoretical Chemistry at Sorbonne Université and Director of the Laboratoire de Chimie Théorique (LCT), a joint research center with CNRS. He is also a junior member of the Institut Universitaire de France and Adjunct Professor of Biomedical Engineering at the University of Texas in Austin. Since 2019, he is Principal Investigator of the Extreme-Scale Mathematics-based Computational Chemistry ERC Synergy European project. In 2018, he was awarded the Atos Joseph Fourier Prize in High Performance Computing
Sequencing a virus can help us to understand its characteristics, how it could mutate, and how it is transmitted. Gaining this level of understanding when faced with a global pandemic, such as COVID-19, is critical.
Join this webinar to learn more about Oxford Nanopore's sequencers, which have already been used for the rapid sequencing of outbreaks including Ebola and Zika, directly in the field. Now Oxford Nanopore’s GPU-accelerated technology is being put to use to monitor and study the current COVID-19 pandemic.
Mike Vella
Senior Solutions Architect Genomics
NVIDIA
Mike Vella is a Senior Genomics Solution Architect at NVIDIA corporation. Mike works on using GPUs for the generation and analysis of high-throughput sequencing data. Mike has a PhD in Computational Neuroscience from the University of Cambridge and an undergraduate degree in Physics from the University of Bristol.
Sequencing a virus can help us to understand its characteristics, how it could mutate, and how it is transmitted. Gaining this level of understanding when faced with a global pandemic, such as COVID-19, is critical.
Molecular dynamics simulations and AI-powered computational chemistry are playing a key role in the fight against COVID-19. Molecular simulation provides atomic-scale insights to viral mechanisms including virus-to-cell fusion, viral protein function, and ultimately possible therapeutics. AI and machine learning are playing a key role in speeding up molecular simulation via learned force-fields, enhanced free energy methods, and generative methods that compliment drug screening pipelines.
In this session, you will hear how GPU-accelerated biomolecular simulation and machine learning are being used by scientists in the fight against COVID-19.
Abraham Stern
Senior Data Scientist
NVIDIA
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Date & Time: Wednesday, April 22, 2018