Hongliang Xin

(617ew) Lattice Strain Engineering of Tin Oxides for Energy-Efficient CO2 Electroreduction

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

(617w) Nanoconfined Proton-Transfer Dynamics within Redox-Active Metal-Organic Frameworks

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

(720d) CO Oxidation Kinetics on Supported Ir Single Atoms

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

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

(370i) Developing a Machine-Learning Molecular Dynamics Approach for Nonadiabatic Surface Chemistry

(465c) Computational Design of Redox-Active Metal-Organic Frameworks for Electrocatalytic Oxygen Evolution

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

(768b) Effective Coordination Based Descriptors for Rational Design of Metal Nanocatalysts

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

(212b) Feature Engineering of Machine-Learning Chemisorption Models for Bifunctional Electrocatalyst Design

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

(184b) Generalized Catalyst Design Approach with Linear Scaling Relationships and Machine Learning of Ab-Initio Adsorption Energies

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

(621bs) Design of {100}-Terminated Bimetallic Electrocatalysts for CO2 Reduction to C2 Species

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

(582az) First-Principles Studies of CO Oxidation on MgAl2O4 supported Iridium Single Atoms

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

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

(582ba) Feature Engineering of Machine-Learning Models for Metal Oxides

(377c) Large-Scale Nonadiabatic Molecular Dynamics Enabled By Machine Learning

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

(582bb) Electrode-Electrolyte Interfaces Probed By Quantum-Chemical Simulations and Machine Learning for Lithium-Ion Batteries

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

(216h) Machine-Learning Model Development for Electrocatalyst Discovery

Noushin Omidvar

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

(582at) Engineering Metal/SnOx Interfaces for Electrochemical CO2 Reduction

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

(469b) Coordination-Based Descriptors for Rational Design of Metal Nanocatalysts

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

(544bb) Developing First-Principles Based Embedded Atom Method Potentials for Metal Clusters Using Bayesian Statistics

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

Noushin Omidvar

(544ei) A Machine Learning Model for Accelerating Biomimetic Electrocatalyst Discovery

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

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

(659g) Large-Scale Exploration of Perovskites for Oxygen Evolution Via Adaptive Machine Learning

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

(240e) Overcoming Site Heterogeneity in Search of Metal Nanocatalysts for Oxygen Reduction

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

(234f) Machine Learning Molecular Dynamics for Understanding Nonadiabatic Surface Reactions

(544dr) Bayesian Chemisorption Theory of Catalysis

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

(639a) New Insights into Electrochemical Ammonia Oxidation on Transition Metals from First Principles

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

Hemanth Pillai

(558cb) Machine Learning Molecular Dynamics for Understanding Nonadiabatic Surface Reactions

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

(560fj) First-Principles Studies of CO Oxidation on MgAl2O4 Supported Iridium Single Atoms

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

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

(659f) Development of Physics-Informed Neural Network Potentials for Molecular Simulations

Shih-Han Wang

Luke Achenie

(558l) Role of Intra-Particle Grain Boundaries in CO2 Electroreduction

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

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

(474d) Bayesian Chemisorption Theory of Catalysis with Uncertainty Quantification

(376ad) Developing First-Principles Based Interatomic Potentials with Bayesian Inference

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

Noushin Omidvar

(560ce) Orbitalwise Coordination Number in Search of Metal Nanocatalysts for Oxygen Reduction

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

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

(558ac) Discover Perovskites for Electrocatalytic Water Oxidation Via Adaptive Machine Learning

(560bl) Understanding Mechanisms of CO2 Electroreduction on Cu(100) with Kinetic Monte Carlo Simulations

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

Tianyou Mou

Hemanth Pillai

(560cl) Exploratory Textual Data Analysis for Understanding the Research Development of Oxygen Reduction Reaction

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

(463b) Accelerating Discovery of High-Performance Electrocatalysts for Ammonia Oxidation Via Machine Learning

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

Hemanth Pillai

(45f) Physics Informed Machine Learning of Chemisorption at Metal Surfaces

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

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

(488f) Bayesian Chemisorption Model for Adsorbate-Specific Tuning of Electrocatalysis

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

(661b) Understanding the Mechanism and Electronic Structure Origin of CO2 Electroreduction on Bi Surfaces with Ionic Liquid Electrolytes

Tianyou Mou

(509cw) Accelerating Ammonia Electrooxidation Catalyst Discovery through Interpretable Machine Learning

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

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

(532ab) Understanding the Mechanism of C-N Coupling in Electrochemical CO2 Reduction on Metal Surfaces

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

(707g) Janus Heterostructured Bi-Cu2s Nanocrystals for Efficient CO2 Electroreduction to Formate

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

(173aa) Cooperative Site and Electrolyte Design for Optimizing Interfacial Electrokinetics of CO2 Reduction

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

(283c) Bayesian Reaction Optimization of Rac-Lactide Polymerization Catalyzed By Aluminum Complexes

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

(532eb) Infusing Theory into Deep Learning for Interpretable Stability Prediction of Transition Metal Alloys

Yang Huang

(532ed) Theory-Infused Neural Network for Interpretable D-Band Moments Prediction

Shih-Han Wang

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

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

(230d) Identification of the Local Configurations and Reaction Mechanism of Single-Atom Ir/TiO2 Catalysts for CO Oxidation

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

(684f) Theory-Infused Neural Network for Interpretable Reactivity Prediction

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

(532at) Breaking Adsorption-Energy Scaling Limitations of Electrocatalytic Nitrate Reduction Via Machine Learned Insights

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

(426d) Discovery of Pt Trimetallic Electrocatalysts for Ammonia Oxidation with Interpretable Deep Learning

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

(532cw) Trends in Catalytic Activity of Single-Atom M/TiO2 Catalysts Towards CO Oxidation

Liping Liu

Ayman M. Karim

(710d) High-Performance Electrocatalytic Nitrate Reduction to Ammonia on Ordered Intermetallic Cupd Nanocubes: Breaking Adsorption-Energy Scaling Limitations

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

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

(521em) Interpretable Design of Multimetallic Catalysts for Ammonia Electrooxidation with Deep Learning

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

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2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

Place Holder 3

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

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