Eric A. Walker

PhD

Eric Walker.

Eric A. Walker

PhD

Eric A. Walker

PhD

Senior Engineer - Modeling and Simulation, LIFT
Research Assistant Professor
Institute of Computational and Data Sciences
School of Engineering and Applied Sciences
Adjunct Assistant Professor
Department of Chemical and Biological Engineering
School of Engineering and Applied Sciences

Research Topics

Catalysis; data science; high performance computing

Biography Publications Teaching Research Group
  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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.
  7. Walker, E. A.; Pallathadka, S. A. How a Quantum Computer Could Solve a  Microkinetic Model. J. Phys. Chem. Lett., 2021, 12, 592-597. 
  8. 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, 2020, 286 (1),  119388. 
  9. 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. 
  10.  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. 
  11. 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. 
  12. Walker, E. A.; Mohammadi, M. M.; Swihart, M. T. Graph Theory Model of Dry  Reforming of Methane Using Rh(111). J. Phys. Chem. Lett., 2020, 11, 4917-4922. 
  13. 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. 
  14. Kammeraad, J.; Goetz, J.; Walker, E.; Tewari, A.; Zimmerman, P. What Does the  Machine Learn? J. Chem. Inf. Model, 2020, 60 (3), 1290-1301. 
  15. Walker, E.; Ravisankar, K. Bayesian Design of Experiments: Implementation,  Validation and Application to Chemical Kinetics. 2019 arXiv:1909.03861. 
  16. Walker, E.; Kammeraad, J.; Goetz, J.; Robo, M.; Tewari, A.; Zimmerman, P. Learning  to Predict Reaction Conditions: Relationships between Solvent, Reactants and Catalyst. J.  Chem. Inf. Model. 2019, 59 (9), 3645-3654.
  17. 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. Selected as Editor’s Choice 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. 
  18. 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. 
  19. 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. 
  20. 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. 
  21. 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. 
  22. 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. 
  23. 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.