LMS Seminars

Accelerating Scientific Discovery

by Nathan Baker (Microsoft Quantum), Leopold Talirz (Microsoft Quantum)




A new generation of AI is coming together with the world’s most universal user interface – natural language - to accelerate scientific discovery.  Advances in chemistry and materials science will empower researchers to bring better products to market more quickly and responsibly, and ultimately solve many of society’s most pressing problems. However, to date, technology has not been able to deliver the scale, speed and accuracy required to rapidly accelerate progress – that is all changing. In this presentation, Dr. Baker will describe how advances in artificial intelligence, high performance computing, and quantum computing are accelerating progress for scientists around the world with Microsoft’s new system for computational chemistry, Azure Quantum Elements, and Copilot of Azure Quantum. As an example of scaling chemistry calculations, Dr. Talirz will provide a detailed overview of AutoRXN, a framework for high-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation.

Organized by

Laboratory for Materials Simulations LMS

Dr Giovanni Pizzi