Category Archives: Uncategorized

We’ll be stepping out to a couple of meetings this spring to talk about our recent work! Brandon will be speaking at the 2024 REMADE Conference on the Circular Economy, April 10-11, about our polyethylene upcycling project. He’ll discuss his … Continue reading →

Congrats to Yan Xie who last week defended her dissertation, titled “Computational Study of Substrate Channeling Mechanisms in Enzymatic Cascade Reactions“. Yan finished her Ph.D. in Materials Science, and has grown our group expertise in molecular dynamics techniques, including metadynamics, … Continue reading →

We are glad to share that Yan’s first paper has been published online. In this work, we employed infrequent metadynamics (InMetaD) to study the slow hopping process of the intermediate glucose-6-phosphate (G6P) on a poly-arginine peptide. We estimated the hopping … Continue reading →

  Congratulations to Kanchan Chavan who defended her dissertation titled “Multi Scale Simulations for Efficient Multi-Step Reaction Cascades” today. Kanchan is finishing her Ph.D. in Chemical Engineering, and has build deep capabilities in our group for multiscale simulations of electrocatalytic materials, … Continue reading →

Welcome to Kat Hummer, who has joined our group as an undergraduate Professorial Assistant. Kat is an undergraduate student studying chemical engineering and Spanish, and is a member of the Honors College at MSU, which offers the professorial assistant program. She … Continue reading →

We’re happy to welcome Mindy Lee to the group. Mindy is pursuing her MS in Chemical Engineering and will be doing a research on an electrochemical hydrogenation of biomass. She started her BS-MS dual degree program in January 2020 and … Continue reading →

UPDATE (10/15/20): Christina is now a permanent member of the group! Hooray! Christina Wark has joined the group this summer on an Early Start Fellowship. A Michigan native from the Detroit area, Christina completed dual bachelor’s degrees in chemical engineering … Continue reading →

Here’s a new paper by Kanchan detailing the trajectories that small molecules can take inside a nanotube. This can be considered the MD version of Kanchan’s previous work, which was a continuum model.  We show how the residence time of … Continue reading →

We bid farewell to Muhammad Gul, who visited with us for six months to conduct electrochemical characterization experiments on his oxide nanoparticles. A graduate student working with Khalida Akhtar at the National Center of Excellence in Physical Chemistry, Peshawar Pakistan, … Continue reading →