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Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
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Cu–Ni Oxidation Mechanism Unveiled: A Machine Learning-Accelerated First-Principles and in Situ TEM Study

https://doi.org/10.1021/acs.nanolett.4c04648

Wisesa, Pandu; Li, Meng; Curnan, Matthew T; Gu, Geun Ho; Han, Jeong Woo; Yang, Judith C; Saidi, Wissam A (January 2025, Nano Letters)

Free, publicly-accessible full text available January 29, 2026
Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional

https://doi.org/10.1021/acs.jpcc.1c04754

Wittreich, Gerhard R.; Gu, Geun Ho; Robinson, Daniel J.; Katsoulakis, Markos A.; Vlachos, Dionisios G. (August 2021, The Journal of Physical Chemistry C)

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Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation

https://doi.org/10.1021/jacs.0c11261

Gu, Geun Ho; Lim, Juhyung; Wan, Chengzhang; Cheng, Tao; Pu, Heting; Kim, Sungwon; Noh, Juhwan; Choi, Changhyeok; Kim, Juhwan; Goddard, William A.; et al (April 2021, Journal of the American Chemical Society)
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