Publications of Mengnan Cui

Cui, M.; Reuter, K.; Margraf, J.: Multi-fidelity transfer learning for quantum chemical data using a robust density functional tight binding baseline. Machine Learning: Science and Technology 6 (1), 015071 (2025)

Poltavsky, I.; Puleva, M.; Charkin-Gorbulin, A.; Fonseca, G.; Batatia, I.; Browning, d. N. J.; Chmiela, S.; Cui, M.; Frank, J. T.; Heinen, S. et al.; Huang, B.; Käser, S.; Kabylda, A.; Khan, D.; Müller, C.; Price, A. J. A.; Riedmiller, K.; Töpfer, K.; Ko, T. W.; Meuwly, M.; Rupp, M.; Csányi, G.; von Lilienfeld, O. A.; Margraf, J. T.; Müller, K.-R.; Tkatchenko, A.: Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023. Chemical Science 16 (8), pp. 3738 - 3754 (2025)

Cui, M.; Reuter, K.; Margraf, J.: Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table. Journal of Chemical Theory and Computation 20 (12), pp. 5276 - 5290 (2024)