Catalysis; data science; high performance computing
Dr. Walker’s research focus is on the simulation of the performance of catalytic materials that are responsible for 80% of the worldwide production of chemicals and carbon-based energy carriers. Catalytic materials accelerate chemical reactions with the advantage of not being consumed in reactions. Therefore, they may perform their function over and over. Dr. Walker’s doctoral dissertation focused on Uncertainty Quantification in Computational Catalysis and was awarded an Eastman fellowship and USC presidential fellowship. He advanced his machine-learning expertise through his postdoctoral fellowship at the University of Michigan. Dr. Walker is currently using data science tools including machine learning, uncertainty quantification and Bayesian statistics, to study catalysts. His research utilizes the power high-performance computing resources.