William Schneider
Groups/Topicals chaired or co-chaired
Computational Molecular Science and Engineering Forum -- Jointly Co-sponsored with ACS2008 Spring Meeting & 4th Global Congress on Process Safety
Sessions chaired or co-chaired
Computational Molecular Science and Engineering Forum
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
Future Automotive Catalysis2008 Spring Meeting & 4th Global Congress on Process Safety
Future Automotive Catalysis
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
Future Automotive Catalysis II
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
Authored
(175b) Estimating Reaction Rates from Coverage Dependent Binding Energies
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(12d) A Molecular Level Understanding of NOx Selective Catalytic Reduction in Cu-SSZ-13 from First Principles
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(123a) Probing the Active Site Requirements and Mechanistic Details of NOx Selective Catalytic Reduction with NH3 on Cu-SSZ-13
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(502c) Optimal Catalyst Design: Screening of LaMO3 (Sc-Cu) Perovskites for NO Oxidation
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(375e) First Principles Simulation of NO Oxidation on Cu-SSZ-13 Zeolite Catalyst
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(15c) Nature of the Active Site for Ammonia Standard SCR and NO Oxidation Reactions
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(578c) Cu Site Speciation in SSZ-13 Zeolites Resolved through UV-Visible Spectroscopy, Selective Synthesis, Time-Dependent Density Functional Theory, and Ab Initio Molecular Dynamics
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(674a) Mechanism of Oxygen Activation during Selective Catalytic Reduction of NO with NH3 in Cu-SSZ-13 Zeolites
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(782d) Unraveling the Nature of Boundary Sites of Metal-on-Oxide Catalysts
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(307d) Free Energies of Adsorption Calculated through Potential of Mean Force Ab Initio Molecular Dynamics in Metal-Exchanged Zeolites
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(148j) Sensitivity of XANES and XES to the local environment: Multiple adsorption of H2O and NH3 on Cu-SSZ-13
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(68f) Evaluation of Ionic Liquids as Novel Post-Combustion Carbon Dioxide Capture Solvents2008 Spring Meeting & 4th Global Congress on Process Safety
(268b) First Principles Simulation of Intermediate Steps in Nitrate Reduction On Metal Catalysts2010 Annual Meeting
(501b) First-Principles Analysis of CO2 Complexation in Amine Functionalized Ionic Liquids2010 Annual Meeting
(683d) Cluster-Expansion-Based Modeling of the Coverage Dependence of Adsorbate Binding at a Metal Surface2010 Annual Meeting
(268g) Energetics and Statistics of O2 Dissociation Over Pt(111) Surface at Finite Coverages2010 Annual Meeting
(344c) Comparison of Multi-Adsorbate Interaction Models for NO Catalytic Oxidation
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(247j) Insight into Selective Catalytic Reduction on Cu-SSZ-13 from Molecular Simulation
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(351c) Spectroscopic and Kinetic Study of Isolated Copper Cations in SSZ-13 Used for NOx Standard Selective Catalytic Reduction (SCR) with Ammonia
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(472d) Energetics at Metal-Support Interfaces: Effect on Water Gas Shift Intermediates
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(739a) Understanding the Active Sites and Mechanism for NOx Standard Selective Catalytic Reduction with Ammonia on Cu-SSZ-13
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(351b) The Molecular Nature of the Cu Active Sites Under NOx Selective Catalytic Reduction
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(281a) Ideas Old and New Applied to Non-Ideal Surface Adsorption and Reaction
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(537f) Ammonia Synthesis Using Plasma Assisted Catalysis: Understanding Rate Enhancements By Excited Species
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(484f) Nature of SO2 Poisoned Cu-SSZ-13 Catalysts Under Ammonia Selective Catalytic Reduction (NH3-SCR) Conditions
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(79h) Factors Affecting Catalytic Performance in the Presence of Non-Thermal Plasmas
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(465c) Sulfur Deactivation Pathways in Cu-SSZ-13 Determined through First-Principle Modeling and X-Ray Spectroscopy
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(192bd) Applications of Atomistic Machine Learning for Estimating Adsorbate Free Energy and Entropy on Late-Transition Metal Surfaces
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(269g) Determining Siting Preference of Exchanged Fe Ions in Fe-SSZ-13 Zeolite through Density Functional Theory and Ab Initio Molecular Dynamics
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(582bv) Nature and Consequences of Al - Al Interactions in SSZ-13 Zeolite
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(484d) Probing the Oxidation and Reduction Halves of the Cu Redox Cycle during Standard NH3-Selective Catalytic Reduction of NOx on Cu-SSZ-13
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(405b) On the Reaction Mechanism and the Nature of the Active Site for Standard Selective Catalytic Reduction of NOx on Cu/SSZ-13 Zeolites
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(58d) Kinetic Consequences of Adsorbate Coverage
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(244b) DFT Analysis of Reactivity of Isolated and Dimeric Cu Sites in SSZ-13 SCR Catalysts
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(269g) Determination of H2O-Solvated Cationic Fe(III) Coordination Geometry in Fe-SSZ-13 Using Wavefunction Coupled-Cluster Parameterized Hybrid Density Functional Theory
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(745a) Kinetic Evaluation of N2 Activation in Plasma Catalytic Ammonia Synthesis
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(501e) First-Principles Development of Al Proximity Titration Strategy for SSZ-13 Zeolite through Comparison of Divalent Metal Cation Exchange Energy Landscapes
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(732a) Accurate Adsorbate Free Energies from First-Principles
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189j) Challenges and Strategies of Modeling Extra-Framework Metal Cations in Zeolites from First-Principles: Knowledge Learned from Cationic Iron Exchanged in SSZ-13
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(327c) DFT and Microkinetic Comparison of Pt, Pd and Rh(111) for Catalytic Ammonia Oxidation
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(694a) Selective C?H Bond Activation of Light Alkane Using Metal Phosphide Catalysts
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(446f) Synthesis Methods to Influence Framework Al Arrangements in CHA Zeolites and Consequences for NOx Selective Catalytic Reduction
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(269d) Overcoming Ammonia Synthesis Scaling Relations with Plasma-Enabled Catalysis
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(380c) Kinetic Study of the Reduction and Oxidation Half-Cycles during Selective Catalytic Reduction of NOx with Ammonia on Cu-SSZ-13
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(81d) Influence of Zeolite Framework on Cu Ion Mobility and the Kinetics of Selective Catalytic Reduction of Nitrogen Oxides with Ammonia
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(101d) Cooperation and Competition between Organic and Inorganic Structure Directing Agents Influences the Aluminum Arrangement in CHA Zeolites
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(196d) First-Principles Investigation of Cu Ion Exchange and Siting Preference in FER Zeolite
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(506f) Towards Understanding Plasma-Assisted Catalytic Enhancement of Ammonia Synthesis over Supported Metal Catalysts
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(36d) Influence of Al-Al Proximity on Metal Ion Exchange in SSZ-13 Zeolite and Strategies to Characterize and Control It
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(632b) Spectroscopic and Kinetic Assessment of Brønsted Acid Site Proximity in Chabazite Zeolites
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(762e) Influence of Zeolite Framework on Cu Ion Mobility and the Kinetics of Low Temperature NOX Selective Catalytic Reduction
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(560dt) Effects of P and Metal Composition on the Performance of Mono- and Bimetallic Phosphides for Light Alkane Dehydrogenation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(560dr) Assessing the Role of Zr-Al Interactions in Oxide-Grafted Zr Precursors for Ethylene Oligomerization Reactions
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(143h) Selectivity in Multiple Guises: DFT and Microkinetic Models of NH3 Catalytic Oxidation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(762f) Spectroscopic and Kinetic Responses of Cu-SSZ-13 to SO2 Exposure and Implications for NOx Selective Catalytic Reduction
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(506a) Nitrogen Activation Under Non-Thermal Stimulation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(677e) Influence of Active Site Density and Arrangement on the Kinetics of NOx Selective Catalytic Reduction with NH3 over Cu-CHA Zeolites
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(628a) Effects of Cu-Zeolite Pore Size, Shape, and Connectivity on the Selective Catalytic Reduction of NOx with NH3
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(758d) DFT Investigations for the Influence of the Framework Topology in Cu2+ Exchange and Siting Preference in Zeolites
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(513fm) Enhancing Potential of Catalysts for Plasma Nitrogen Oxidation
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(631d) Comparison of Explicit and Implicit Representations of Coverage Dependence on the Microkinetics of Catalytic Reactions
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(740b) Computational Investigation of the Metal Phosphide Chemistry for Ethane Dehydrogenation Catalyst
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(580e) Quantitative Connections between Copper Site Proximity and Binuclear Active Sites for Partial Methane Oxidation to Methanol in Cu-CHA Zeolites
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(602e) Effects of Framework Al Density in Chabazite Zeolites on Cu Ion Mobility and the Kinetics of NOx Selective Catalytic Reduction with NH3
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(583b) Combining Ab Initio and Classical Molecular Dynamics Simulations to Predict the Implication of Charged Osdas on of Al Siting Preferences in CHA.
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(145e) Models and Observations of Plasma-Catalytic Nitrogen Oxidation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(265c) Performance Appraisal of Coverage-Explicit Mean-Field Microkinetic Modelling Strategies
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(574d) Interrogation of Single-Site, Oxide-Supported Metal Hydrides for Ethylene Oligomerization By Density Functional Theory
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(145d) Plasma-Assisted Catalytic Approaches for the Production of Chemicals
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(580c) Characterization and Analysis of Ring Topology of Zeolite Frameworks
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(378e) Computational Characterization and Screening of Metal Phosphidesfor Ethane Dehydrogenation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(349ag) A Kinetic Modelling Strategy for Interrogating NOx Selective Catalytic Reduction on Cu-Exchanged Zeolites
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(107c) Synthetic and Post-Synthetic Methods to Alter Al-Al Site Pair Arrangements in Zeolites
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(44h) Interrogation of Alkaline Earth Ion Exchange and CO Vibrational Spectroscopy As Reporters of Al Proximity in CHA Zeolites
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(532du) Analysis and Augmentation of Guest-Host Interaction Energy Models As CHA and AEI Zeolite Crystallization Phase Predictors
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(228h) Evolution of Framework Al Arrangements in CHA Zeolites during Crystallization in the Presence of Organic and Inorganic Structure-Directing Agents
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(179c) A Parameterization Strategy for Coverage-Dependent DFT-Based Microkinetic Modeling of Surface Catalytic Reactions
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(43a) First Principles Based Microkinetic Interrogation of Ethylene Oligomerization and Hydrogenation Potential of Transition Metal Ions Supported on Silica
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(356j) Sensitivity of Ethylene Oligomerization Rates and Selectivities to the Nature of Metal Ion on Siliceous Supports By First Principles and Microkinetic Interrogation
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(690h) Presence of Multiple Types of Cu Active Sites and Their Connections to Framework Composition and Methane Oxidation Reactivity in Cu-CHA
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(674c) Adsorbate Induced Restructuring of Pt Nanoparticle and Resultant Kinetics for Catalytic Ammonia Oxidation
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(689c) Influence of N,N,N-Trimethyl-1-Adamantyl Ammonium on Al and Defect Siting Energetics and Implications for Accessible Si/Al Ratios in CHA
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(335f) Decoupling Plasma-Catalytic Interactions through Plasma-Temperature Programmed N2 Reduction and Oxidation Reactions
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(674a) Mechanistic and Structural Transformations of Pt/Al2O3 Catalysts during NH3 oxidation for NH3 Slip Applications
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(698d) DFT Analysis of Speciation and Stability of Surface-Bound Nitrogen Species Under N2 Plasma Exposure
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
Associated proceedings
2014 AIChE Annual Meeting
2016 AIChE Annual Meeting
2008 Spring Meeting & 4th Global Congress on Process Safety
2010 Annual Meeting
2015 AIChE Annual Meeting Proceedings
2017 Annual Meeting
2013 AIChE Annual Meeting
2018 AIChE Annual Meeting
2019 AIChE Annual Meeting
2020 Virtual AIChE Annual Meeting
2021 Annual Meeting
2022 Annual Meeting
2023 AIChE Annual Meeting