Computational Environmental Catalysis at the University of Notre Dame
Professor, Chemical and Biomolecular Engineering
Concurrent Professor, Chemistry and Biochemistry
University of Notre Dame
Office: 123b Cushing Hall
Mailing: 182 Fitzpatrick Hall, Notre Dame, Indiana, 46556
Email: wschneider@nd.edu
Phone: (574) 631-8754
Fax: (574) 631-8366
CV
Family
Group offices: 150 Fitzpatrick Hall
Jason Bray
Graduate Student
Chemical and Biomolecular Engineering
150 J Fitzpatrick Hall
574-631-1437
jbray2@nd.edu
Coverage effects in oxidation catalysis
Dorrell McCalman
Graduate Student
Chemical and Biomolecular Engineering
150 E Fitzpatrick Hall
574-631-1427
dmccalma@nd.edu
Aqueous nitrate hydrogenation catalysis
John Clay
Graduate Student
Chemical and Biomolecular Engineering
150 E Fitzpatrick Hall
574-631-1427
jclay@nd.edu
Water-gas shift modeling
Mike Penninger
Graduate Student
Chemical and Biomolecular Engineering
150 E Fitzpatrick Hall
574-631-1427
mpennin1@nd.edu
Oxides for catalytic NO oxidation
Atun Anggara
Graduate Student
Chemical and Biomolecular Engineering
150 J Fitzpatrick Hall
574-631-1437
tanggara@nd.edu
NOx Selective Catalytic Reductions
Dr. Sonia Antony
Post. Doc. Associate
Chemical and Biomolecular Engineering
150 I Fitzpatrick Hall
574-631-1456
santony1@nd.edu
CO2 reduction catalysts
Michelle Morton
Graduate Student
Chemistry and Biochemistry
150 I Fitzpatrick Hall
574-631-1456
mmorton2@nd.edu
Ionic Liquids
Laura Herder
Graduate Student
Chemistry and Biochemistry
150 I Fitzpatrick Hall
574-631-1456
lherder@nd.edu
Coverage effects of adsorbates
Dr. Taebum Lee
Post. Doc. Associate
Chemical and Biomolecular Engineering
150 E Fitzpatrick Hall
574-631-1427
tlee8@nd.edu
Ionic Liquids
Chris Paolucci
Graduate Student
Chemical and Biomolecular Engineering
150 J Fitzpatrick Hall
574-631-1437
cpaolucc@nd.edu
NOx Selective Catalytic Reductions
Dr. Katie Maerzke
Post-Doc
Chemical and Biomolecular Engineering
150 L Fitzpatrick Hall
574-631-3955
kmaerzke@nd.edu
Xuesen Du
Visiting Scientist
Chemical and Biomolecular Engineering
150 Fitzpatrick Hall
574-631-1528
xdu1@nd.edu
NOx Selective Catalytic Reductions
Dr. Houyu Zhu
Post. Doc. Associate
Chemical and Biomolecular Engineering
150 E Fitzpatrick Hall
574-631-1427
hzhu3@nd.edu
Water-gas shift modeling
Quintin Sheridan
Graduate Student
Chemical and Biomolecular Engineering
150 Fitzpatrick Hall
574-631-1528
qsherida@nd.edu
Steven McDonough
Graduate Student
Chemical and Biomolecular Engineering
150 J Fitzpatrick Hall
574-631-1528
smcdono1@nd.edu
Yuanxing Wang
Graduate Student
Chemical and Biomolecular Engineering
150 Fitzpatrick Hall
574-631-1528
ywang19@nd.edu
Dr. Kurt Frey
Post-Doc
Chemical and Biomolecular Engineering
150 L Fitzpatrick Hall
574-631-3955
kfrey1@nd.edu
Cluster expansions of surface reactions
|
| Alumni | Information | Current Affiliation | Thesis Title |
|---|---|---|---|
Dr. David Schmidt |
CBE Ph.D., 2013 | Cluster Expansion Studies of Oxygen Adsorption on Transition Metal Surfaces | |
Dr. Elaine Mindrup |
CBE Ph.D., 2011 | Columbia Law School | Discovery of New Ionic Liquids for CO2 Capture |
Mandy Danser |
Chemistry M.Sc., 2011 | New Jersey Police Department | Beyond the gas phase: towards modeling bulk ionic liquids with a comparison of Density Functional Tight Binding (DFTB) to Density Functional Theory (DFT) |
Dr. Hangyao Wang |
CBE Ph.D., 2009 | Dow Chemical Company | Atomistic Studies of Oxidation Catalysis and Surface Poisoning on Transition Metal Oxide Surfaces |
| CBE Ph.D., 2009 | Assistant Prof., Clemson University | Simulation of NO Oxidation Catalyis Over Oxygen-Covered Transition Metal Surfaces | |
Mr. Wenguang Lin |
Chemistry M.Sc., 2009 | Notre Dame Business School | DFT Simulations of Re3 Cluster Catalysts |
Dr. Jean-Sabin McEwen |
Research Scientist, 2011-2012 | Chemical Enginnering faculty, Washington State University | |
Dr. Chao Wu |
Research Scientist, 2009-2012 | Chemistry faculty, Xi'an Jiaotong University | |
Dr. ZhengZheng Chen |
Post-doc, 2010-2011 | UCLA | |
Dr. Bhabani Mallik |
Post-doc, 2010-2011 | IIT Hyderabad - India | |
Dr. Hannah Fox |
Post-doc, 2009-2010 | ||
Dr. Victor Ranea |
Visiting scientist, 2006-2009 | Conicet Argentina | |
Dr. Abhijit Phatak |
Post-doc, 2007-2008 | Intel Corp. | |
Dr. Li Xiao |
Post-doc, 2006-2007 | Accelrys Corp. | |
Dr. Ye Xu |
Post-doc, 2004-2005 | Oak Ridge National Lab | |
Mark Sullivan |
Undergrad research 2011-2012 |
University of Minnesota school | Carbenes for CO2 capture |
Jennifer Smith |
Undergrad research 2011-2012 |
ExxonMobil | XPS of oxygen on Pt |
Allison Hamman |
Undergrad research 2011-2012 |
Phase change ionic liquids | |
Jonathan Conway |
Undergrad research 2009-2010 |
NC State graduate school | Adsorbate-adsorbate electronic interaction modeling |
Thomas Senftle |
Undergrad research 2009-2010 |
Penn. State grad. school | AHA Ionic Liquids for CO2 capture |
Martin Beres |
Undergrad research 2009-2010 |
Ohio State U. grad. school | Cluster expansions of surface adsorption |
Shawn Coleman |
Undergrad research 2007-2009 |
U. Arkansas grad. school | Metal cluster calculations |
Nate Menendez |
Undergrad. research 2008-2009 |
Air Products | DFT calculations of NDMA decomposition |
Danny Beyrer |
Undergrad. research Summer 2008 |
Rose-Hulman | NO adsorption on Pd and Pd alloys |
Miriam Shakalli Tang |
Undergrad. research Summer 2008 |
Ohio State University | Some title |
Jessica Nadai |
Undergrad. researcher 2006-2007 |
BP | DFT Calculations of Oxygen Adsorption on Gold, Iridium, and Nickel |
Josh Bruce |
Undergrad. research 2006-2007 |
Travelers | Cl Atom Reactions with iso-Propanol |