Publications of King Chun Lai

Lai, K. C.; Poths, P.; Matera, S.; Scheurer, C.; Reuter, K.: Automatic Process Exploration through Machine Learning Assisted Transition State Searches. Physical Review Letters 134 (9), 096201 (2025)

Poths, P.; Lai, K. C.; Cannizzaro, F.; Scheurer, C.; Matera, S.; Reuter, K.: ML-Accelerated Automatic Process Exploration Reveals Facile O-Induced Pd Step-Edge Restructuring on Catalytic Time Scales. ACS Catalysis 15 (1), pp. 514 - 522 (2025)

Lai, K. C.; Liu, D.-J.; Huang, W.; Han, Y.; Evans, J. W.: Thermal Shape Stability of fcc Metal Nanocrystals Synthesized with Faceted Nonequilibrium Shapes. The Journal of Physical Chemistry C 128 (17), pp. 7026 - 7040 (2024)

Lai, K. C.; Campbell, C. T.; Evans, J. W.: Size-dependent diffusion of supported metal nanoclusters: mean-field-type treatments and beyond for faceted clusters. Nanoscale Horizons 8 (11), pp. 1556 - 1567 (2023)

Lai, K. C.; Matera, S.; Scheurer, C.; Reuter, K.: A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of Chemical Physics 159 (2), 024129 (2023)

Lai, K. C.; Liu, D.-J.; Evans, J. W.: Nucleation-mediated reshaping of facetted metallic nanocrystals: Breakdown of the classical free energy picture. The Journal of Chemical Physics 158 (10), 104102 (2023)