Accelerating Density Functional Theory for Faster Calculations

DATE

September 25, 2024

TIME

8:00 a.m. PDT, 11:00 a.m. EDT, 16:00 BST, 17:00 CEST - Duration: 60 Minutes

Overview

Density functional theory (DFT) is one of the most popular methods in computational chemistry due to its efficiency and accuracy in modeling quantum-mechanical properties. However, running DFT codes can be challenging for the user and takes substantial resources that can be constrained as the molecules being studied increase in complexity and size.

To simplify and improve this process, Azure Quantum and Microsoft Research designed and launched Accelerated DFT, a code that can determine the properties of molecules with thousands of atoms in a matter of hours.

In this webinar, the Microsoft team will showcase how the new Accelerated DFT capability within Azure Quantum Elements can significantly speed up simulations on molecular structures.

After an overview of the Azure Quantum Elements platform, attendees will learn how easy it is to set up and run electronic structure calculations with the Accelerated DFT capability, leading to faster prediction and analysis of molecular structure properties.

Key Learning Objectives:

Discover the latest advancements in accelerating DFT calculations
Explore how to expedite research across a wide spectrum of chemical disciplines
Find out how to produce large and highly accurate datasets of molecular properties that can be used to improve AI models
Hear how customers are already leveraging the code to accelerate research
Learn how to get started with Accelerated DFT today

Who Should Attend:

Computational Chemists and Materials Scientists that use DFT today and want to learn about the latest innovations in DFT simulation
Chemical Engineers and Materials Research Engineers, Cheminformatics Specialist, and Research Scientist interested in accelerating workflows and processes with AI and HPC
CEOs, CIOs, and CTOs looking to speed up the discovery pipeline to bring products to market faster

Brought to you by:

Speakers

Dr. Alexis Mills
Engineer,
Azure Quantum team at Microsoft

Kelly McSweeney
Contributing Editor,
C&EN Media Group

Registration

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