Recent news

New publication in Reaction Chemistry & Engineering

In this study, Neil Tran, under the guidance of Prof. Alex Mironenko, investigates the reaction mechanisms of methanol carbonylation to acetic acid on silica-supported ultradispersed ReOx catalytic sites. Using first-principles computational methods, we challenge the common assumption that monopodal –ORe(=O)3 configurations are the key active sites. Instead, we identify ligand environments and oxidation states that drive bond formation and cleavage, revealing electronic structure […]

Ankit and Lanie Present at the 23rd ChBE Graduate Research Symposium – Lanie Wins 2nd Place!

We’re happy to share that Ankit and Lanie presented posters highlighting their research at the 23rd Annual Chemical and Biomolecular Engineering (ChBE) Graduate Research Symposium. A special mention to Lanie for winning 2nd place in the poster session! This is a great acknowledgment of the hard work they’ve put into their projects. Congratulations to both […]

Lanie Presents NTB Developments at the Computational Chemistry GRC in Portland

Lanie recently attended the Computational Chemistry Gordon Research Conference (GRC), which focused on the theme Advancing Chemical Discovery Through Theory, Simulation, and Data Science. The conference took place from July 21-26, 2024, at the University of Southern Maine in Portland, Maine. During the event, Lanie participated in insightful talks centered on advancements in computational chemistry […]

Welcome Dongyue Liang to the Group!

We are excited to welcome Dr. Dongyue Liang, our new postdoctoral researcher, to the group! Dongyue brings a wealth of knowledge and expertise to our team, and we look forward to the exciting contributions he will make in advancing our research. Please join us in giving Dongyue a warm welcome and wishing him great success […]