PUBLICATIONS

37. Pandu Wisesa, Meng Li, Matthew T. Curnan, Geun Ho Gu, Jeong Woo Han, Judith C. Yang, Wissam A. Saidi* Cu–Ni Oxidation Mechanism Unveiled: A Machine Learning-Accelerated First-Principles and in Situ TEM Study. Nano Letters, 2025, 25, 4, 1329–1335.

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36. Tianjun Xie, Gerhard R. Wittreich, Matthew T. Curnan, Geun Ho Gu, Kayla N. Seals, Justin S. Tolbert Machine-Learning-Enabled Thermochemistry Estimator. Journal of Chemical Information and Modeling, 2025, 65, 1, 214–222.

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35. Donglai Pan, Muthu Austeria P, Shinbi Lee, Ho-sub Bae, Fei He, Geun Ho Gu, Wonyong Choi Integrated electrocatalytic synthesis of ammonium nitrate from dilute NO gas on metal organic frameworks-modified gas diffusion electrodes. Nature Communications, 2024, 15, 7243.

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43. Shuan Chen, Juhwan Noh, Jidon Jang, Seongmin Kim, Geun Ho Gu, Yousung Jung Reaction Templates: Bridging Synthesis Knowledge and Artificial Intelligence. Accounts of Chemical Research, 2024, 57, 14, 1964–1972.

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34. Naveenkumar Palanimuthu, Mohan Raj Subramaniam, Muthu Austeria P, Preetam Kumar Sharma, Vinoth Ramalingam, Karthik Peramaiah, Shanmugam Ramakrishnan, Geun Ho Gu, Eileen Hao Yu, Dong Jin Yoo* Surface Area‐Enhanced Cerium and Sulfur‐Modified Hierarchical Bismuth Oxide Nanosheets for Electrochemical Carbon Dioxide Reduction to Formate. small, 2024, 2400913.

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33. Jidon Jang, Juhwan Noh, Lan Zhou, Geun Ho Gu, John M. Gregoire, Yousung Jung Synthesizability of materials stoichiometry using semi-supervised learning. Matter, 2024, 7, 2294.

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32. Woonghyeon Park, Juhwan Noh, Geun Ho Gu, Gunwook Nam, Sang-Mun Jung, Yong-Tae Kim, Yousung Jung Machine learning-enabled fast exploration of stable and active single-atom catalysts for oxygen evolution reaction. The Innovation Materials, 2024, 2, 100072.

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31. Mohaseen S. Tamboli, Santosh S. Patil, Dong-Kyu Lee, C.S. Praveen, Asiya M. Tamboli, Uk Sim, Kiyoung Lee, Geun Ho Gu, Chinho Park Dynamic role of dopant and graphene on BiVO4 photoanode for enhanced photoelectrochemical hydrogen production. Energy, 2024, 298, 131329.

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30. Seoin Back, Alan Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz Grzybowski, Geun Ho Gu, Jason Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O. Anatole von Lilienfeld, Aron Walsh Accelerated chemical science with AI. Digital Discovery, 2024, 3, 23.

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44. Seongmin Kim, Juhwan Noh, Geun Ho Gu, Shuan Chen, Yousung Jung Predicting synthesis recipes of inorganic crystal materials using elementwise template formulation. Chemical Science, 2024, 15, 1039-1045.

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