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The Journal of Chemical Physics|July 13, 2023
A fuzzy classification framework to identify equivalent atoms in complex materials and moleculesKing Chun Lai, Sebastian Matera, Christoph Scheurer, et al.
Faraday Discussions|May 1, 2026
Kinetic restructuring of catalyst active sites: a MACE-APE study of fluxional Pd<sub><i>n</i></sub>/MgO (<i>n</i> = 3-11) clustersPatricia Poths, King Chun Lai, Christoph Scheurer, et al.
Physical Review Letters|March 25, 2025
Automatic Process Exploration through Machine Learning Assisted Transition State SearchesKing Chun Lai, Patricia Poths, Sebastian Matera, et al.
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