William F. Schneider

William F. Schneider is the Keating-Crawford Professor of Chemical Engineering and Chair of the Department of Chemical and Biomolecular Engineering at the University of Notre Dame's College of Engineering. He also holds a concurrent professorship in the Department of Chemistry and Biochemistry. Dr. Schneider leads the Computational Environmental Catalysis research group focused on applying density functional theory (DFT) simulations to solve problems in energy and the environment.

Dr. Schneider's educational background includes a Ph.D. in Chemistry from Ohio State University (1991) and a B.S. in Chemistry from the University of Michigan-Dearborn (1986). Before joining Notre Dame in 2004 as an Associate Professor, he worked at the Ford Motor Company Research Laboratory where he developed expertise in catalytic chemistry related to automobile emissions control.

Dr. Schneider's research focuses on molecular-scale understanding of heterogeneous catalysis, with particular emphasis on energy-related applications. His group uses computationally intensive molecular simulations to understand and predict chemical properties and reactivity from first principles. Key research areas include:

• Zeolites for NOx reduction
• Catalysis at metal surfaces
• Catalysis for shale gas conversion
• Energy-directed catalysis
• Carbon capture and conversion
• Sustainable bio/fossil fuels

His recent publications demonstrate a strong focus on computational approaches to understanding catalytic mechanisms, particularly in zeolite systems for environmental applications and energy conversion processes. The research often combines density functional theory with microkinetic modeling to provide molecular-level insights into catalytic processes.

Dr. Schneider has received numerous honors including:

• Dorini Family Chair of Energy Studies
• Keating-Crawford Professor of Chemical Engineering
• Fellow of the American Association for the Advancement of Science
• James A. Burns, C.S.C., Award for outstanding mentorship of doctoral students
• Executive Editor of the Journal of Physical Chemistry C

As an advisor, Dr. Schneider mentors numerous graduate students and postdocs in the Computational Molecular Sciences and Engineering Laboratory (CoMSEL). His research group collaborates closely with experimentalists to validate computational findings and accelerate their application. Current projects include investigations into plasma-catalytic processes, copper-zeolite systems for methane oxidation, and computational screening of catalysts for various energy applications.

Dr. Schneider's research is supported by various grants focusing on energy conversion, environmental catalysis, and computational materials design. He leads the Computational Environmental Catalysis group which is part of the broader CoMSEL research community at Notre Dame.