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, Microsoft 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.