Diego Gomez-Gualdron’s Research


Assistant Professor Diego Gomez-Gualdron’s research focuses on developing, integrating and using techniques in molecular modeling and data science, and other computational tools to help design materials that can play pivotal roles in energy-related problems in sectors such as transportation, power generation, and chemical industry. His current research interests mainly focus on i) the design of materials based on nanoporous architectures such as metal‑organic frameworks (MOFs) for energy storage and for energy-efficient chemical separations, and ii) the design of advanced catalytic interfaces between metal nanoparticles and traditional and novel supports for selective catalysis.

Diego Gomez-Gualdron received a 2019 NSF CAREER award. He joined the department in 2016 after post-doctoral study at Northwestern University.

More information about Dr. Gomez-Gualdron can be found on his faculty page.


To learn more about Dr. Gomez-Gualdron’s research group, visit https://dgomezgualdron.wixsite.com/codematelab.

“Working in Dr. Gomez-Gualdron’s group is a fantastic and exciting thing. Dr. Gomez-Gualdron’ always gives me brilliant and innovative suggestions on my research. Especially when I feel confused and anxious, he is also gentle and helpful. Besides, all members of our group are friendly and smart. They never hesitate their time and ideas to assist you. It is one of the most wonderful things in my life to join this group.”


“One of the best things about computational research is that there are few creative limitations. We can simulate things that are impossible in our physical universe, change chemistry with a dial, watch what atoms are up to, and still obtain solutions to real problems. Prof. Gómez-Gualdrón does an excellent job of fostering innovative research: we are free to explore problems in new ways and try things that are a bit crazy, but with plenty of practical support from Diego when needed.”

Ryther Anderson

“I am glad to learn molecular modeling and run Quantum Mechanics/ Mechanical Mechanics simulation. Analysis of molecular interaction is a good way to understand micro quantum. Everyone is excellent and we could learn from each other!”

Xiaoyu Chen

Poster Presentation