Welcome to the Materials Modeling and Microscopy (M-cube) group.

Update (11/8/2024):

  • All postdoctoral positions have been filled.
  • We do not anticipate hiring new PhD students in Fall 2025.

Research in M-cube is focused on developing quantitative structure-property correlations in materials for energy applications. In order to do so, we use a synergistic combination of electronic structure calculations and aberration-corrected scanning transmission electron microscopy (STEM). We use the knowledge gained from this combination of theory and microscopy to design and optimize new materials with improved properties or even new functionalities. Some of the materials that we are currently interested in are complex oxides, compound semiconductors, 2D materials, and high entropy alloys for applications such as in electrocatalysis, solar cells, high-power electronics, and high-strength materials.

We use some of the fastest supercomputers, such as Stampede 2 at the Texas Advanced Computing Center, to perform the electronic structure calculations. For the atomic-resolution STEM imaging and spectroscopy, we use some of the most powerful electron microscopes, such as the Nion UltraSTEMs, at Oak Ridge National Laboratory. We collaborate extensively with materials chemists and electrochemists for synthesis and validation of the materials that we predict using theory and computation, and for subsequent atomic-structure characterization.

News

Congratulations to Guodong!

May 8, 2024
Congratulations to Guodong!
Congratulations to Dr. Guodong Ren on successfully defending his thesis entitled “Investigations of Ferroic Materials using a Synergistic Combination of Electron Microscopy and Theory.” Guodong is the sixth PhD graduate from M-cube. He has done a lot of amazing work in both theory and microscopy. Now, he is moving to the University of Washington to […]

Tiny displacements, giant changes in optical properties

May 6, 2024
Tiny displacements, giant changes in optical properties
Guodong and Gwan-Yeong contributed to an article in Advanced Materials which reveals pathway for designing optical materials with specialized properties. This was featured by the McKelvey School of Engineering.

Congratulations to Jiang!

May 2, 2024
Congratulations to Jiang!
Congratulations to Dr. Jiang Luo on successfully defending his thesis entitled ‘Synthesis and Functional Properties of Metal Chalcogenide Semiconductors.’ Jiang is the fifth PhD graduate from M-cube. He did impressive work on both synthesis and theory. Now, he has moved to Argonne National Laboratory for a postdoc after graduating from WashU. Jiang, best wishes on […]