University of Notre Dame
Department of Chemical and Biomolecular Engineering
182 Fitzpatrick Hall
Notre Dame, IN
USA 46530
Papers:
OC73 First Principles Simulation of Intermediate Steps in Nitrate Reduction on Metal Catalysts
OE60 Computational Design of Aprotic Heterocyclic Anions (AHAs) for Ionic-Liquid-Based CO2 Separations
OF18 Connecting molecular processes to macro-kinetic observables of surface catalytic reactions using first-principles simulations
OF67 Non-equilibrium (NO)2 Dimer Formation During Catalytic Reactions With Nanometric Resolution
P-Tu-86 DFT study of electrostatic interactions of CO and NO adsorbed on Pt(111) with uniform external electric field and co-adsorbate dipoles
P-We-85 First Principles and Cluster Expansion Analysis of Oxygen Adsorption and Dissociation on the Kinked Pt(321) Surface

Gender: Male