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, using the finite element method, molecular dynamics, DFT and microkinetics. Below are her two papers as lead author, with another in preparation. Congrats Kanchan!
- K. S. Chavan and S. C. Barton, “Confinement and Diffusion of Small Molecules in a Molecular-Scale Tunnel”, J. Electrochem. Soc., 167, 023505 (2020). doi:10.1149/1945-7111/ab6dd2
- K. S. Chavan and S. Calabrese Barton, “Simulation of Intermediate Channeling by Nanoscale Confinement”, J. Phys. Chem. C, 122, 14474–14480 (2018). doi:10.1021/acs.jpcc.8b01922
Kanchan zooming with her committee, clockwise from top left, Dr. Tim Hogan, Dr. Calabrese Barton, Dr. David Hickey, and Dr. Alexei Bazavov.
