Research

We are a multidisciplinary computational group that spans Physics, Chemistry (pH) and Materials Science. Research in my group focuses on understanding kinetic processes dictating the performance and durability of batteries and catalysts from first principles. These materials are constantly operated under non-equilibrium conditions and always contain various defects. To improve energy efficiency and lifetime of a device, it is necessary to understand ion diffusion and reaction coupled with the evolution of defects in materials. Our simulations will unveil factors affecting materials performances with atomistic details that are not easily accessible experimentally. Ultimately, our goal is to guide the atomistic-level control of materials for a sustainable future.

Updates

We are hiring - June 6, 2024

Welcome Owen Sullivan - September 1, 2023

Welcome Shraddha Singh - April 6, 2023

Congratulations Courtney and Talia! - April 6, 2023

Welcome Harold Smith - February 9, 2023

Our research is covered on Dal News - July 7, 2022

Welcome Shivam Beniwal - May 9, 2022

Yi Won the Student Research Contest - October 15, 2021

Welcome to PHX group - September 15, 2021

Welcome to Jekyll! - September 14, 2021