| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 133 | 2023 |
| Unfolding the structural stability of nanoalloys via symmetry-constrained genetic algorithm and neural network potential S Han, G Barcaro, A Fortunelli, S Lysgaard, T Vegge, HA Hansen npj Computational Materials 8 (1), 121, 2022 | 15 | 2022 |
| Oxidation and de-alloying of PtMn particle models: a computational investigation T Roongcharoen, X Yang, S Han, L Sementa, T Vegge, HA Hansen, ... Faraday Discussions 242, 174-192, 2023 | 7 | 2023 |
| Rapid mapping of alloy surface phase diagrams via Bayesian evolutionary multitasking S Han, S Lysgaard, T Vegge, HA Hansen npj Computational Materials 9 (1), 139, 2023 | 6 | 2023 |
| Graph Neural Network-Accelerated Multitasking Genetic Algorithm for Optimizing PdxTi1–xHy Surfaces under Various CO2 Reduction Reaction Conditions C Ai, S Han, X Yang, T Vegge, HA Hansen ACS Applied Materials & Interfaces 16 (10), 12563-12572, 2024 | 1 | 2024 |
| Algorithms for accelerating the optimization of alloy catalysts S Han Technical University of Denmark, 2022 | | 2022 |
Heine A. HansenTechnical University of Denmark在 dtu.dk 的电子邮件经过验证
