Atomistic description of self-diffusion in molybdenum: A comparative theoretical study of non-Arrhenius behavior D Smirnova, S Starikov, GD Leines, Y Liang, N Wang, MN Popov, ... Physical Review Materials 4 (1), 013605, 2020 | 26 | 2020 |
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al Y Liang, G Díaz Leines, R Drautz, J Rogal The Journal of Chemical Physics 152 (22), 2020 | 11 | 2020 |
Atomic cluster expansion for Pt-Rh catalysts: From ab initio to the simulation of nanoclusters in few steps Y Liang, M Mrovec, Y Lysogorskiy, M Vega-Paredes, C Scheu, R Drautz https://doi.org/10.1557/s43578-023-01123-5, 2023 | 4 | 2023 |
Structural transformations driven by local disorder at interfaces Y Liang, GD Leines, R Drautz, J Rogal Physical Review Materials 8 (3), 033402, 2024 | | 2024 |
Enhanced sampling of structural phase transformations using a neural network based path collective variable Y Liang, G Díaz Leines, R Drautz, J Rogal APS March Meeting Abstracts 2021, Y26. 004, 2021 | | 2021 |