Code available upon request for the paper: 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.
For the paper: Bello, R.; Kyriakidou, E. A.; Walker, Eric A. Dataset for CO2 purification via a zeolite material. Results Surf. Interfaces 2024, 17, 100177.
For the paper: 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.
For the paper: 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.
For the paper: 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.
For the paper: 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, 327, 111428.
For the paper: 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.
For the paper: 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, doi: 10.1021/acs.jpcc.1c03287.
For the paper: Walker, E. A.; Pallathadka, S. A. How a Quantum Computer Could Solve a Microkinetic Model. J. Phys. Chem. Lett., 2020, 12, 592-597.
and:
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.
For the paper: 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.
For the papers: Walker, E. A.; Ravisankar, K.; Savara, A. CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics. ChemCatChem, 2020, accepted, 10.1002/cctc.202000976. 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, accepted, 10.1002/cctc.202000953. Special Collection: Data Science in Catalysis.
For the paper: 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 .
For the paper: 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.
For the paper: 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.
For the paper: Ravisankar, K.; Walker, E. Bayesian Design of Experiments: Implementation, Validation and Application to Chemical Kinetics. 2019 arXiv preprint arXiv:1909.03861
For the paper: 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.
For the paper: 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.