1. J. Peng, J. Damewood, and R. Gómez-Bombarelli*, “Data-Driven, Physics-Informed Descriptors of Cation Ordering in Multicomponent Perovskite Oxides,” Preprint at arXiv
2. J. Peng, J.J. Giner-Sanz, L. Giordano, W.P. Mounfield, G.M. Leverick, Y. Yu, Y. Román-Leshkov*, and Y. Shao-Horn*, “Design Principles for Transition Metal Nitride Stability and Ammonia Generation in Acid,” Joule 7, 150 (2023)
3. J. Peng, D. Schwalbe-Koda, K. Akkiraju, T. Xie, L. Giordano, Y. Yu, C.J. Eom, J.R. Lunger, D.J. Zheng, R.R. Rao, S. Muy, J.C. Grossman, K. Reuter, R. Gómez-Bombarelli*, and Y. Shao-Horn*, “Human- and Machine-Centred Designs of Molecules and Materials for Sustainability and Decarbonization,” Nature Reviews Materials 7, 991 (2022)
4. J. Peng*, L. Giordano, T.C. Davenport, and Y. Shao-Horn*, “Stability Design Principles of Manganese-Based Oxides in Acid,” Chemistry of Materials 34, 7774 (2022)
5. S. Yuan†, J. Peng†, B. Cai†, Z. Huang, A.T. Garcia-Esparza, D. Sokaras, Y. Zhang, L. Giordano, K. Akkiraju, Y. Zhu, R. Hübner, X. Zou, Y. Román-Leshkov*, and Y. Shao-Horn*, “Tunable Metal Hydroxide–Organic Frameworks for Catalysing Oxygen Evolution,” Nature Materials 21, 673 (2022)
6. J. Peng*, J.K. Damewood, J. Karaguesian, R. Gómez-Bombarelli*, and Y. Shao-Horn, “Navigating Multimetallic Catalyst Space with Bayesian Optimization,” Joule 5, 3069 (2021)
7. D.A. Kuznetsov†, J. Peng†, L. Giordano, Y. Román-Leshkov, and Y. Shao-Horn*, “Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution,” Journal of Physical Chemistry C 124, 6562 (2020)
8.  J.R. Lunger, J. Karaguesian, H. Chun, J. Peng, Y. Tseo, C.H. Shan, B. Han, Y. Shao-Horn*, and R. Gómez-Bombarelli*, “Towards Atom-Level Understanding of Metal Oxide Catalysts for the Oxygen Evolution Reaction with Machine Learning,” Preprint at arXiv
9. M.T. McDowell, H. Xiong, M. Nazemi, J. Peng, J.L. Lutkenhaus, R. Wang, A. Djire, A. Sankaran, J. Leem, and Y. Gogotsi, “Nanomaterials in the Future of Energy Research,” Cell Reports Physical Science 4, 101605 (2023)
10. D.J. Zheng†, M. Görlin†, K. McCormack, J. Kim, J. Peng, H. Xu, X. Ma, J.M. LeBeau, R.A. Fischer, Y. Román-Leshkov*, and Y. Shao-Horn*, “Linker-Dependent Stability of Metal-Hydroxide Organic Frameworks for Oxygen Evolution,” Chemistry of Materials 35, 5017 (2023)
11. J. Damewood, J. Karaguesian, J.R. Lunger, A.R. Tan, M. Xie, J. Peng, and R. Gómez-Bombarelli*, “Representations of Materials for Machine Learning,” Annual Review of Materials Research 53, 399 (2023)
12. S. Yuan, J. Peng, Y. Zhang, D.J. Zheng, S. Bagi, T. Wang, Y. Román-Leshkov*, and Y. Shao-Horn*, “Tuning the Catalytic Activity of Fe-Phthalocyanine-Based Catalysts for Oxygen Reduction Reaction by Ligand Functionalization,” ACS Catalysis 12, 7278 (2022)
13. J.R. Lunger, N. Lutz, J. Peng, M. Bajdich*, and Y. Shao-Horn*, “Cation-Dependent Multi-Electron Kinetics of Metal Oxide Splitting,” Chemistry of Materials 34, 3872 (2022)
14. T.-H. Shen, L. Spillane, J. Peng, Y. Shao-Horn, and V. Tileli*, “Switchable Wetting of Oxygen Evolving Oxide Catalysts,” Nature Catalysis 5, 30 (2022)
15. M.B. Stevens, M. Anand, M.E. Kreider, E.K. Price, J.Z. Zeledón, L. Wang, J. Peng, H. Li, J.M. Gregoire, J. Hummelshøj, T.F. Jaramillo, H. Jia, J.K. Nørskov, Y. Román-Leshkov, Y. Shao-Horn, B. Storey, S.K. Suram, S.B. Torrisi, and J. Montoya*, “New Challenges in Oxygen Reduction Catalysis: A Consortium Retrospective to Inform Future Research,” Energy & Environmental Science 15, 3775 (2022)
16. R.R. Rao*, B. Huang, Y. Katayama, J. Hwang, T. Kawaguchi, J.R. Lunger, J. Peng, Y. Zhang, A. Morinaga, H. Zhou, H. You, and Y. Shao-Horn*, “pH- and Cation-Dependent Water Oxidation on Rutile RuO2(110),” Journal of Physical Chemistry C 125, 8195 (2021)
17. S. Yuan, Y. Li, J. Peng, Y.M. Questell-Santiago, K. Akkiraju, L. Giordano, D.J. Zheng, S. Bagi, Y. Román-Leshkov*, and Y. Shao-Horn*, “Conversion of Methane into Liquid Fuels—Bridging Thermal Catalysis with Electrocatalysis,” Advanced Energy Materials 2002154 (2020)
18. T.-H. Shen, L. Spillane, J. Vavra, T.H.M. Pham, J. Peng, Y. Shao-Horn, and V. Tileli*, “Oxygen Evolution Reaction in Ba0.5Sr0.5Co0.8Fe0.2O3−δ Aided by Intrinsic Co/Fe Spinel-Like Surface,” Journal of the American Chemical Society 142, 15876 (2020)
19. S. Yuan*, J. Peng, Y. Zhang, and Y. Shao-Horn*, “Stability Trend of Metal–Organic Frameworks with Heterometal-Modified Hexanuclear Zr Building Units,” Journal of Physical Chemistry C 123, 28266 (2019)
20. C. Wei†, R.R. Rao†, J. Peng, B. Huang, I.E.L. Stephens, M. Risch, Z.J. Xu*, and Y. Shao-Horn*, “Recommended Practices and Benchmark Activity for Hydrogen and Oxygen Electrocatalysis in Water Splitting and Fuel Cells,” Advanced Materials 31, 1806296 (2019)
21. R. He†, J. Hua†, A. Zhang, C. Wang, J. Peng, W. Chen, and J. Zeng*, “Molybdenum Disulfide–Black Phosphorus Hybrid Nanosheets as a Superior Catalyst for Electrochemical Hydrogen Evolution,” Nano Letters 17, 4311 (2017)

1. Y. Shao-Horn, Y. Román-Leshkov, D.A. Kuznetsov, L. Giordano, and J. Peng, “Perovskites for Catalyzing Oxygen,” U.S. Patent 11/220,753
2. Y. Shao-Horn, Y. Román-Leshkov, and J. Peng, “Transition Metal Nitrides as Solid Carriers for Ammonia Storage,” U.S. Provisional App. 17/399,656

Invited Talks

• “Bridging Physics-Informed and Data-Driven Materials Designs for Deep Decarbonization,” 10th IUPAC International Conference on Green Chemistry, International Union of Pure and Applied Chemistry, Beijing, China 10/2024
• “Reactivity vs. Durability: Building Physics-Driven, Quantitative Blueprints of Catalytic Interfaces for Decarbonization,” ENFL Future Investigator Spotlight Symposium, ACS Fall 2023 Meeting, American Chemical Society, San Francisco, CA, U.S. 08/2023
• “Bridging Physics-Informed and Data-Driven Materials Designs for Deep Decarbonization,” Distinguished Young Scholars Seminar, Department of Chemical Engineering and Molecular Engineering and Sciences Institute, University of Washington, Seattle, WA, U.S. 07/2023
• “Leveraging the Inductive Effect to Promote Oxygen Evolution on Oxides and Metal Hydroxide–Organic Frameworks,” Bandarenka Group Seminar (Virtual), Department of Physics, Technical University of Munich, Munich, Germany 01/2022
• “Leveraging the Inductive Effect to Promote Oxygen Evolution on Oxides and Metal Hydroxide–Organic Frameworks,” Graduate Student Award Finalist Presentation (Virtual), 2021 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S. 11/2021
• “Stability Design Principles of Mn-Based Oxides for Acidic Electrolytes,” ElectroCat Consortium Meeting, U.S. Department of Energy, Santa Fe, NM, U.S. 01/2020
• “Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution,” Advances in Anion Exchange Membranes: Materials, Processes and Devices Workshop, Northeastern University, Boston, MA, U.S.

Contributed Talks

• “Graph Neural Networks to Predict Ordering-Dependent Properties from Multicomponent Crystal Structures,” 2023 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S. 11/2023
• “Data-Driven, Physics-Informed Descriptors of Cation Ordering in Multicomponent Perovskite Oxides,” 2023 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S. 11/2023
• “Reactivity vs. Durability: Building Physics-Driven, Quantitative Blueprints of Catalytic Interfaces for Decarbonization,” Electrochemical Fundamentals: Faculty Candidate Session, 2023 AIChE Annual Meeting, American Institute of Chemical Engineers, Orlando, FL, U.S. 11/2023
• “Graph Neural Networks to Predict Ordering-Dependent Properties from Multicomponent Crystal Structures,” 2023 AIChE Annual Meeting, American Institute of Chemical Engineers, Orlando, FL, U.S. 11/2023
• “Data-Driven, Physics-Informed Descriptors of Cation Ordering in Multicomponent Perovskite Oxides,” 2023 AIChE Annual Meeting, American Institute of Chemical Engineers, Orlando, FL, U.S. 11/2023
• “Graph Neural Networks to Predict Ordering-Dependent Properties from Multicomponent Crystal Structures,” ACS Fall 2023 Meeting, American Chemical Society, San Francisco, CA, U.S. 08/2023
• “Data-Driven, Physics-Informed Descriptors of Cation Ordering in Multicomponent Perovskite Oxides,” ACS Fall 2023 Meeting, American Chemical Society, San Francisco, CA, U.S. 08/2023
• “Design Principles for Transition Metal Nitride Stability and Ammonia Generation in Acid,” 28th North American Catalysis Society Meeting, North American Catalysis Society, Providence, RI, U.S. 06/2023
• “Design Principles for Transition Metal Nitride Stability and Ammonia Generation in Acid,” 243rd ECS Meeting, The Electrochemical Society, Boston, MA, U.S. 05/2023
• “Design Principles for Transition Metal Nitride Stability and Ammonia Generation in Acid,” 2022 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S. 11/2022
• “Stability Design Principles of Manganese-Based Oxides in Acid,” 2022 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S. 11/2022
• “Stability Design Principles of Manganese-Based Oxides in Acid,” 242nd ECS Meeting, The Electrochemical Society, Atlanta, GA, U.S. 10/2022
• “Leveraging the Inductive Effect to Promote Oxygen Evolution on Oxides and Metal Hydroxide–Organic Frameworks,” 242nd ECS Meeting, The Electrochemical Society, Atlanta, GA, U.S. 10/2022
• “Stability Design Principles of Manganese-Based Oxides in Acid,” ACS Fall 2022 Meeting, American Chemical Society, Chicago, IL, U.S. 08/2022
• “Leveraging the Inductive Effect to Promote Oxygen Evolution on Oxides and Metal Hydroxide–Organic Frameworks,” ACS Fall 2022 Meeting, American Chemical Society, Chicago, IL, U.S. 08/2022
• “Leveraging the Inductive Effect to Promote Oxygen Evolution on Oxides and Metal Hydroxide–Organic Frameworks,” 2021 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S. 11/2021
• “Stability Design Principles of Mn-Based Oxides for Acidic Electrolytes,” PRiME 2020 (Virtual), The Electrochemical Society, U.S. 10/2020
• “Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution,” 234th ECS Meeting, The Electrochemical Society, Atlanta, GA, U.S. 10/2019
• “Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution,” 2018 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S.

Poster Presentations

• “Global Optimization of Electrocatalytic Materials to Decarbonize Chemical Transformations,” Meet the New Faculty Candidate Poster Session, 2023 MRS Fall Meeting, Materials Research Society, Boston, MA, U.S. 11/2023
• “Global Optimization of Electrocatalytic Materials to Decarbonize Chemical Transformations,” Meet the Faculty and Post-Doc Candidates Poster Session, 2023 AIChE Annual Meeting, American Institute of Chemical Engineers, Orlando, FL, U.S. 11/2023
• “Global Optimization of Multicomponent Oxide Catalysts for OER/ORR,” ARPA-E Energy Innovation Summit, U.S. Department of Energy, Washington, DC, U.S. 03/2023
• “Design Principles for Transition Metal Nitride Stability and Ammonia Generation in Acid,” Gordon Research Conference: Nanomaterials for Applications in Energy Technology, Ventura, CA, U.S. 02/2023
• “Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution,” SUNCAT Summer Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, U.S. 08/2019
• “Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution,” Accelerated Materials Design and Discovery Conference, Toyota Research Institute, Boston, MA, U.S. 05/2019
• “Design of Highly Active Perovskite Oxides for Oxygen Electrocatalysis,” Accelerated Materials Design and Discovery Conference, Toyota Research Institute, Redwood City, CA, U.S. 05/2018