Rhys John Bunting

Research interests
I take inspiration and apply methods from interdisciplinary fields to tackle key issues within chemistry. I work at the interface of chemistry, chemical engineering, and data science. I address challenges within the topics of catalysis, energy, material degradation, and nucleation & growth. I blend ab initio electronic structure methods, machine learning, molecular dynamics, microkinetics, and kinetic Monte Carlo to bridge theory with experiment. My goal is to push the boundaries of modeling to encapsulate the complexities of experimental systems.

Subject Matter Expertise
• Catalysis
• Microkinetics
• Kinetic Monte Carlo
• Molecular dynamics

Current position(s)
Postdoctoral Researcher, Quantum Simulations Group – Materials Science Division