Walker, E. A.; Sun, J.; Chen, J. A Surrogate Model to Quantify Uncertainty in Thermal Protection Systems for Hypersonic Weapons. Def. Syst. Info. Anal. Center J. 2024, 8 (1), 22.
Walker, E. A.; Sun, M.; Chen, J. Bayesian Uncertainty Update to a Model of Flexural Strength of α-SiC. Mater. Plus 2024, 3, 18-26.
Bello, R.; Kyriakidou, E. A.; Walker, Eric A. Dataset for CO2 purification via a zeolite material. Results Surf. Interfaces 2024, 17, 100177.
Walker, E. A.; Marziale, J. J.; Chen, J. Density Functional Theory Insight into Chemical Vapor Infiltration. Methane 2023, 2(4), 415-425.
Sun, J.; Chen, Y.; Marziale, J.; Walker, E. A.; Salac, D.; Chen, J. Damage Prediction of Sintered α-SiC Using Thermo-mechanical Coupled Fracture Model. J. Amer. Ceram. Soc. 2023, 106, 6036-6050.
Canavan, J.; Giewont, K.; Kyriakidou, E. A.; Walker, E. A. Feasibility of Methane Oxidation on SSZ-13 Bridged Pd2Ox Sites: A Theoretical Study. 2022, J. Phys. Chem. C, https://doi.org/10.1021/acs.jpcc.2c06086.
Becerra, A. J.; Diaz-Ibarra, O. H.; Kim, K.; Debusschere, B.; Walker, E. A.. How a Quantum Computer Could Accurately Solve a Hydrogen-Air Combustion Model. 2022, Digital Discovery, 2022, https://doi.org/10.1039/D2DD00049K.
Walker, E. A. Bayesian statistics in catalysis: a perspective. Curr. Opin. Chem. Eng. 2022, 36, 100820.
Fricke, C.; Rajbanshi, B.; Walker, E. A.; Terejanu, G.; Heyden, A. Propane dehydrogenation on platinum catalysts: identifying the active sites through Bayesian analysis. ACS Catal. 2022, 12, 2487-2498.
Chen, J.; Giewont, K.; Walker, E. A.; Lee, J.; Niu, Y.; Kyriakidou, E. A. Cobalt-Induced PdO Formation on Low-Loading Pd/BEA Catalysts for CH4 Oxidation. ACS Catal., 2021, 11, 13066-13076.
Lee, J.; Giewont, K.; Chen, J.; Liu, C.-H.; Walker, E. A.; Kyriakidou, E. A. Ag/ZSM-5 Traps for C2H4 and C7H8 Adsorption under Cold-Start Conditions. Micropor. Mesopor. Mat., 2021, 237, 111428.
Kundu, S. K.; Rajadurai, V. S.; Yang, W.; Walker, E.; Mamun, O.; Bond, J.; Heyden, A. Surface Structure Sensitivity of Hydrodeoxygenation of Biomass-derived Organic Acids over Palladium Catalysts: A Microkinetic Modeling Approach. Catal. Sci. Technol., 2021, in press, DOI: 10.1039/D1CY01029H.
Becerra, Alejandro; Prabhu, Anand; Rongali, Mary Sharmila; Velpur, Sri Charan Simha; Debusschere, Bert; Walker, Eric A., How a Quantum Computer Could Quantify Uncertainty in Microkinetic Models. J. Phys. Chem. Lett. 2021, 12, 6955-6960.
Chen, Junjie; Buchanan, Timothy; Walker, Eric A.; Toops, Todd J.; Li, Zhenglong; Kunal, Pranaw; Kyriakidou, Eleni A. Mechanistic Understanding of Methane Combustion over Ni/CeO2: A Combined Experimental and Theoretical Approach. ACS Catal., 2021, 11, 9345-9354.
Giewont, K.; Kyriakidou, E. A.; Walker, E. A. Investigation of Potential Catalytic Active Sites of Pd/SSZ-13: A DFT Perspective. J. Phys. Chem. C, 2021, 125 (28), 15262–15274.
Walker, E. A.; Pallathadka, S. A. How a Quantum Computer Could Solve a Microkinetic Model. J. Phys. Chem. Lett., 2020, 12, 592-597.
Liu, Chih-Han; Giewont, Kevin; Toops, Todd; Walker, E. A.; Horvatits, C.; Kyriakidou, E. Non-catalytic gas phase NO oxidation in the presence of decane. Fuel, 2021, 286 (1), 119388.
Walker, E. A.; Ravisankar, K.; Savara, A. CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics. ChemCatChem, 2020, 12 (21), 5401-5410. Special Collection: Data Science in Catalysis.
Savara, A.; Walker, E. A. CheKiPEUQ Intro 1: Bayesian Parameter Estimation Considering Uncertainty or Error from both Experiments and Theory. ChemCatChem, 2020, 12 (21), 5385-5400. Special Collection: Data Science in Catalysis.
Horvatits, C.; Lee, J.; Kyriakidou, E. A.; Walker, E. A. Characterizing Adsorption Sites on Ag/SSZ-13 Zeolites: Experimental Observations and Bayesian Inference. J. Phys. Chem. C 2020, 124 (35), 19174-19186. Special Issue: Machine Learning in Physical Chemistry.
Walker, E. A.; Mohammadi, M. M.; Swihart, M. T. Graph Theory Model of Dry Reforming of Methane on Rh(111). J. Phys. Chem. Lett., 2020, 11, 4917-4922 .
Horvatits, C.; Li, D.; Dupuis, M.; Kyriakidou, E. A.; Walker, E. A. Ethylene and Water Co-Adsorption on Ag/SSZ-13 Zeolites: A Theoretical Study. J. Phys. Chem C 2020, 124 (13), 7295-7306.
Kammeraad, J.; Goetz, J.; Walker, E. A.; Tewari, A.; Zimmerman, P. M. What Does the Machine Learn? J. Chem. Inf. Model. 2020, 60 (3), 1290-1301.
Ravisankar, K.; Walker, E. Bayesian Design of Experiments: Implementation, Validation and Application to Chemical Kinetics. 2019 arXiv preprint arXiv:1909.0386.
Walker, E.; Kammeraad, J.; Goetz, J.; Robo, M. T.; Tewari, A.; Zimmerman, P. M. Learning to Predict Reaction Conditions: Relationships between Solvent, Reactants and Catalyst. J. Chem. Inf. Model. 2019, 59 (9), 3645-3654.
Chowdhury, A.; Yang, W.; Walker, E.; Mamun, O.; Heyden, A.; Terejanu, G. Prediction of Adsorption Energies for Chemical Species on Metal Catalyst Surfaces Using Machine Learning. J. Phys. Chem. C. 2018, 122 (49), 28142-28150. Editor’s Choice- due to its potential for broad public interest, an honor given to only one article from the entire American Chemical Society portfolio each day
Walker, E.; Mitchell, D.; Terejanu, G. A.; Heyden, A. Identifying Active Sites of the Water-Gas Shift Reaction over Titania Supported Platinum Catalysts under Uncertainty. ACS Catal. 2018, 8, 3990–3998.
13. Mamun, O; Walker, E.; Faheem, M.; Bond, J. Q.; Heyden, A. Theoretical Investigation of the Hydrodeoxygenation of Levulinic Acid over Ru (0001): A DFT and Microkinetic Modeling Study. ACS Catal. 2017, 7, 215–228.
Walker, E.; Terejanu, G. A.; Ammal, S. C.; Heyden, A. Uncertainty Quantification Framework Applied to the Water-Gas Shift Reaction over Pt-based Catalysts. J. Phys. Chem. C 2016, 120, 10328-10339.
Behtash, S.; Lu, J.; Walker, E.; Mamun, O.; Heyden, A. Solvent Effects in the Liquid Phase Hydrodeoxygenation of Methyl Propionate over a Pd (111) Catalyst Model. J. Catal. 2016, 333, 171-183.
Walker, E.; Rayman, S.; White, R. E. Comparison of a Particle Filter and Other State Estimation Methods for Prognostics of Lithium-ion Batteries. J. Power Sources 2015, 287, 1-12.
Walker, E.; Ammal, S. C.; Suthirakun, S.; Chen, F.; Terejanu, G. A.; Heyden, A. Mechanism of Sulfur Poisoning of Sr2Fe1.5Mo0.5O6-δ Perovskite Anode under Solid Oxide Fuel Cell Conditions. J. Phys. Chem. C 2014, 118, 23545-23552.
Ph. D. Dissertation Uncertainty Quantification in Computational Catalysis (2016).
M. S. Thesis Comparison of a Particle Filter and Other State Estimation Methods for Prognostics of Lithium-Ion Batteries (2013).