| Prediction of transition-state energies of hydrodeoxygenation reactions on transition-metal surfaces based on machine learning K Abdelfatah, W Yang, R Vijay Solomon, B Rajbanshi, A Chowdhury, ... The Journal of Physical Chemistry C 123 (49), 29804-29810, 2019 | 26 | 2019 |
| Data driven reaction mechanism estimation via transient kinetics and machine learning MR Kunz, A Yonge, Z Fang, R Batchu, AJ Medford, D Constales, ... Chemical Engineering Journal 420, 129610, 2021 | 17 | 2021 |
| TAPsolver: A Python package for the simulation and analysis of TAP reactor experiments A Yonge, MR Kunz, R Batchu, Z Fang, T Issac, R Fushimi, AJ Medford Chemical Engineering Journal 420, 129377, 2021 | 13 | 2021 |
| Theoretical investigation of solvent effects on the hydrodeoxygenation of propionic acid over a Ni (111) catalyst model M Zare, RV Solomon, W Yang, A Yonge, A Heyden The Journal of Physical Chemistry C 124 (30), 16488-16500, 2020 | 12 | 2020 |
| Computational Investigation of the Catalytic Hydrodeoxygenation of Propanoic Acid over a Cu (111) Surface B Rajbanshi, W Yang, A Yonge, SK Kundu, C Fricke, A Heyden The Journal of Physical Chemistry C 125 (35), 19276-19293, 2021 | 3 | 2021 |
| Quantifying the impact of temporal analysis of products reactor initial state uncertainties on kinetic parameters A Yonge, GS Gusmão, R Batchu, MR Kunz, Z Fang, R Fushimi, ... AIChE Journal 68 (9), e17776, 2022 | 2 | 2022 |
| Internal calibration of transient kinetic data via machine learning MR Kunz, A Yonge, X He, R Batchu, Z Fang, Y Wang, GS Yablonsky, ... Catalysis Today 417, 113650, 2023 | 1 | 2023 |
| Model-Based Design of Experiments for Temporal Analysis of Products (TAP): A Simulated Case Study in Oxidative Propane Dehydrogenation A Yonge, GS Gusmão, R Fushimi, AJ Medford Industrial & Engineering Chemistry Research 63 (11), 4756-4770, 2024 | | 2024 |
| Simulating Catalysis with Realistic Pellet Geometries Using Mesoflow: A Case Study of Catalytic Propane Dehydrogenation M Crowley, H Sitaraman, NE Thornburg, A Medford, A Yonge, R Fushimi, ... National Renewable Energy Laboratory (NREL), Golden, CO (United States), 2023 | | 2023 |
| Extracting Knowledge from Transient Kinetic Datasets A Medford, A Yonge 2022 AIChE Annual Meeting, 2022 | | 2022 |
| A Priori Calibration of Transient Kinetics Data via Machine Learning MR Kunz, A Yonge, R Batchu, Z Fang, Y Wang, G Yablonsky, AJ Medford, ... arXiv preprint arXiv:2109.15042, 2021 | | 2021 |
| APPENDIX A SUPPORTING INFORMATION FOR THEORETICAL INVESTIGATION OF SOLVENT EFFECTS ON THE HYDRODEOXYGENATION OF PROPIONIC ACID OVER A NI (111) CATALYST MODEL M Zare, RV Solomon, W Yang, A Yonge, A Heyden Solvent Effect Modeling in Heterogenous Catalysis 100 (124), 121, 2021 | | 2021 |
| Meso-Kinetic Transient Optimization Via Machine Learning M Kunz, R Batchu, Y Wang, A Yonge, A Medford, Z Fang, D Constales, ... 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Transient Kinetic Characterization Surface Oxygen Species to Understand Steady-State Performance of Oxidative Coupling of Methane Y Wang, B Wang, S Sourav, M Kunz, A Yonge, Z Fang, R Batchu, ... 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Generalized simulation and processing of TAP reactor data AC Yonge Georgia Institute of Technology, 2020 | | 2020 |
| TAPsolver: Python Package for Automated TAP Simulation and Analysis R Kunz, A Yonge, A Medford | | 2020 |
| Robust Catalyst Characterization and Estimation of Mechanistic Pathways through Data Science M Kunz, Y Wang, R Batchu, Z Fang, A Yonge, A Medford, GS Yablonsky, ... 2019 AIChE Annual Meeting, 2019 | | 2019 |
| Enabling Robust Catalyst Characterization By Applying Data Science to Transient Kinetics MR Kunz, Y Wang, A Yonge, GS Yablonsky, AJ Medford, R Fushimi 2019 North American Catalysis Society Meeting, 2019 | | 2019 |
| Simulation and optimization of of temporal analysis of products (TAP) curves from micro-kinetic models A Medford, A Yonge ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
