C&EN Webinar

Accelerating Density Functional Theory for Faster Calculations

Register Now

DETAILS:

Live virtual event

Sep 25, 2024 | 11 AM–12 PM ET

60 minutes

TOPICS:

Physical Chemistry
Energy
Synthesis

Brought to you by:

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.

Speakers

Dr. Alexis Mills

Engineer, Azure Quantum team at Microsoft

{cdccb62d-4f94-40ad-b78d-37a1fa5cc717}__kellymcsweeney_cropped.jpg

Kelly McSweeney

Contributing Editor, C&EN Media Group

ACS Institute

Keep learning. Excel in your career.

Choose from more than 200 courses in seven different categories, taught by experts in the chemistry community, online and in person.