Jean-Sabin McEwen

Citation name

McEwen, J. S.

Affiliation

Washington State University

State

WA

Country

USA

computational catalysis expert

Sessions chaired or co-chaired

Atomically Dispersed Supported Metal Catalysts II

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

Atomically Dispersed Supported Metal Catalysts II

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

Catalysis in Liquid Media II: Impact of Liquid Phase on Adsorption and Conversion in Catalysis

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

Catalyst Design, Synthesis, and Characterization VI: Structure/activity relationships II

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

Catalyst Synthesis and Design II: Zeolites and Other Oxides

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

Catalytic Processing of Fossil and Biorenewable Feedstocks: Fuels

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Computational Catalysis I: Fundamentals

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Computational Catalysis IV: Metal Oxides, Sulfides, Phosphides, Zeolites, Etc.

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Confluence of Experimental and Theoretical Methods

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Environmental Catalysis: Air Pollution Control

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

In Honor of Norbert Kruse's Birthday (Invited Talks)

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

In Honor of the 2019 Practice Award Winner (Invited Talks)

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Rational Catalyst Design I

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Technology Transfer and Industrial-Academic Interfaces

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Authored

(375g) Elucidating the Mechanism of Phenol Deoxygenation to Benzene on an Fe Surface: A Detailed Mechanistic Study from First Principles

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(12b) Characterizing the Exchange Sites in Cu-SSZ-13 and Cu-SAPO-34 during the Selective Catalytic Reduction of NOx with NH3: A Detailed Study from First Principles

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(320f) Dehydrogenation of Water Species on Ni Catalysts from First Principles: Investigations of Electric Field Influence

Jean-Sabin McEwen

Fanglin Che

Su Ha

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(573e) Methane Steam Reforming: Using External Electric Fields to Enhance the Catalytic Performance of Ni-Based Catalysts

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(617cn) Multiple H2O and NH3 Adsorbed on Cu-SSZ-13: XANES and XES Study from First Principles

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(720a) Low Temperature CO Oxidation with a Single Site Pt Catalyst Supported on the “29” Cuxo/Cu(111) Surface: Elucidating the Chemical Nature of the Pt Active Sites

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(370e) Determining the Pd Dopant Effect on the Reducibility of Fe2O3: DFT+U or Hybrid Functionals?

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(520g) Developing Multi-Scale Models of Bimetallic Catalysts for the Hydrodeoxygenation of Bio-Oil Compounds

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(399b) A New DFT-Based Approach That More Accurately Predicts Adsorption Energies

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(611g) Surface Stabilization and Subsequent Rupturing of Co in Co-Cu Catalysts By Formation of Adsorbed Di-, Tri-, and Tetracarbonyls

Greg Collinge

Norbert Kruse

Jean-Sabin McEwen

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(763g) Evidence for CO Insertion in Alkane and Alkenes Production through Fischer-Tropsch Reaction

Norbert Kruse

Greg Collinge

Jean-Sabin McEwen

Motahare Athariboroujeny

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(547h) Enhancing the Ni/YSZ Catalytic Performance in the Activation of Methane: The Influence of the Electric Field and Interface Carbon

Fanglin Che

Su Ha

Jean-Sabin McEwen

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)

(656a) Developing Multi-Scale Models of Bimetallic Catalysts for the Hydrodeoxygenation of Bio-Oil Compounds

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(561d) Mitigating the Oxidative Deactivation on a Multi-Faceted Fe Catalyst: A Multi-Scale Model from First Principles

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(269b) Probing the Site-Pairing Preference of Framework Aluminum in ZSM-5 with Ga(CH3)3

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(52d) Interactions of Water and Chiral Properties of a Single Site Pt "29" Cuxo/Cu(111) Catalyst

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(699d) Probing the Catalytically Active Phase of Cobalt Fischer-Tropsch Catalysts from First Principles: Predicting High Coverage Surface Hydroxyl Conformations Under Reaction Conditions

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(656h) Multi-Scale Models of Oxygen on Iron-Based Hydrodeoxygenation Catalysts: Elucidating the Effect of External Electric Fields and Surface Dopants

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(650h) Increasing Activity, Reducing Coking, and Promoting Unexpected Reaction Pathways during Methane Steam Reforming By Applying Uniform Electric Fields in a Scalable Reactor

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(226d) Chemical Transient Kinetics in Studies of the CO Hydrogenation Mechanism over Co-Based Catalysts

Motahare Athariboroujeny

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(239e) Improved Catalytic Reactivity of PdFe Bimetallic Catalysts Towards the Deoxygenation of Phenolic Compounds: A Density Functional Theory Study

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(168c) Electric Field-Induced Reactions in Fuel Cells From First Principles

Fanglin Che

Jean-Sabin McEwen

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(234d) Improving the Initial Guess for a Nudged Elastic Band Calculation By Incorporating Chemical Intuition

Kyle Groden

Jean-Sabin McEwen

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(352c) Protecting the Fe Active Phase from Oxidation Under Hydrodeoxygenation Conditions: Evaluating the Influence of Promoters and External Electric Fields

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(318h) Comparative Analysis of Surface Configurations of CO Adsorbed on hcp and fcc Cobalt for the Fischer-Tropsch Synthesis

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(647c) Predicting the Single-Site CO Oxidation Reactivity Trends on a Well-Defined Copper Oxide Film

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(269h) Coverage Dependent Adsorption of Phenol on Pt (111): Estimating the Lateral Interactions Exhibited By Bio-Oil Model Compounds Under Hydrodeoxygenation Reaction Conditions

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(143a) Coverage-Dependent Adsorption of Hydrogen on Fe(100): Using Lattice Gas Parameters As Design Variables to Enhance Fe’s Resistance to Oxidative Deactivation

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(659e) Determining the Predictability of Clusters Expansions By Quantifying Their Associated Errors

Greg Collinge

Alyssa Hensley

Jean-Sabin McEwen

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(629b) Developing Multi-Scale Models of Deoxygenation Reactions on Iron Carbide Catalysts: Hydrodeoxygenation of Phenol on Fe3C (001)

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(727c) Developing Stability Criteria of Isolated Metal Adatoms on a Well-Defined Copper Oxide Film

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(758b) Determining the Thermodynamic Stability of Single-Site Iron Complexes in Nitrogen-Doped Carbon: A Computational Study

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(461c) Protic Solvents Catalyzed Synergistic H-Adatom and Proton Transfer during Methoxyphenol Hydrodeoxygenation on Ru Clusters

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(560fi) Impact of Copper Exchange Protocol on Cu-CHA SCR Activity

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(632d) Hydrodeoxygenation of Phenolics at Solvent-Metal Interfaces: Enabling New Catalytic Pathways By Modifying the Reactive Hydrogen Species

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(631g) Mapping Catalytic Reaction Pathways through Combined Theory and Surface Sensitive Spectroscopy: Decomposition of Phenolics on Pt(111) As a Case Study

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(437a) Determining the Effect of Water during the Catalytic Reduction of Propanal to Alcohols on Ru-Based Catalysts

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(653b) Elucidating the Influence of Electric Fields Toward CO2 Activation on YSZ(111)

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(684f) Determining Catalytically Relevant Surface Structures Via Multiscale Models: Modeling Distribution Tendencies of Noble Metals on Fe(100)

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(738h) A Mechanism Study of Roles of Water in Acetone-to-Isobutene Reaction over the Balanced Lewis Acid-Base Pairs

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(656b) Capturing the Restructuring of Co-Based Catalysts in Oxygenate-Driven Fischer-Tropsch Synthesis from First Principles

Gregory Collinge

Renqin Zhang

Motahare Athariboroujeny

Trevor Wood

Kirill Shumilov

Anastassia Alexandrova

Norbert Kruse

Jean-Sabin McEwen

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(228c) Determining the Electronic Structure and the Thermodynamic Stability of Iron Complexes in Nitrogen-Doped Carbon: A Computational Study

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(602f) Probing the Atomic-Scale Effects of Surface Oxidation on Methanol Oxidation Reactivity By Cu Oxide Surfaces: A Combined Density Functional Theory and Surface Science Study

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(509cz) Deconvoluting XPS Spectra in Lanthanum-Based Perovskites: An Analysis from First Principles

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(111d) Determining the Adsorption Energetics of 2,3-Butanediol on RuO2(110) from First Principles

Carrington Moore

Difan Zhang

Roger Rousseau

Vassiliki-Alexandra Glezakou

Jean-Sabin McEwen

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(395d) Unravelling the Role of Reaction Environment at the Metal-Reactant Interface for the Targeted Reduction of Aldehydes to Alcohols

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(683f) Determining the Clustering Tendencies of Pt and Rh on a Cu2o Thin Film

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(191f) Investigating Mixed Metal Oxides As Cathode Electrocatalysts for CO2 reduction in Solid Oxide Electrolysis Cell

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(638h) Controlling the Adsorption-Induced Reaction Selectivity of Biphenyl-Based Molecules on Ag(111)

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(639c) Charge of Reactive Hydrogen at Fluid-Transition Metal or Fluid-Transition Metal Sulfide Interfaces and Their Catalytic Roles in Hydrogenation and Hydrotreating Catalysis

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(53h) Capturing the Coverage Dependence of Aromatics Via Mean-Field Models: Application in the Hydrodeoxygenation of Biofuels

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(6h) Elucidating the Influence of Electric Fields on Fe Oxidation Via Multiscale Models and Atom Probe Tomography

Thierry Visart De Bocarmé

Daniel Perea

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(425g) Elucidating the Role of Carbon in the Hydrodeoxygenation of Phenol in Iron Carbide-Based Catalysts

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(228e) Elucidating the Impact of Organic Structure Directing Agent Isomer Ratios on the Aluminum Distribution in SSZ-39

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(97c) Tuning the Reactivity of Hydrogen Species at Solvent-Metal Interfaces for the Activation of Strong Polar Bonds: Hydrodeoxygenation of Phenolics

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(230g) Modeling Distribution Tendencies of Noble Metals on Fe(100)

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(179d) Rate Expressions in Mean Field Microkinetic Models Incorporating Multiple Types of Active Sites

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Associated proceedings

2014 AIChE Annual Meeting

2016 AIChE Annual Meeting

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

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CEP: May 2023

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Jean-Sabin McEwen

McEwen, J. S.

Washington State University

WA

USA

Sessions chaired or co-chaired

Authored

Associated proceedings