A Molecular View of Methane Activation on Ni(111) through Enhanced Sampling and Machine Learning
Publication
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Y. Xu, Y. Jin, J. S. García Sánchez, G. R. Pérez-Lemus, P. F. Zubieta Rico, M. Delferro, and J. J. de Pablo, A Molecular View of Methane Activation on Ni(111) through Enhanced Sampling and Machine Learning, J. Phys. Chem. Lett., 2024, 15, 9852–9862. DOI: 10.1021/acs.jpclett.4c02237