| Recent progress of the computational 2D materials database (C2DB) MN Gjerding, A Taghizadeh, A Rasmussen, S Ali, F Bertoldo, T Deilmann, ... 2D Materials 8 (4), 044002, 2021 | 261 | 2021 |
| Representing individual electronic states for machine learning GW band structures of 2D materials NR Knøsgaard, KS Thygesen Nature Communications 13 (1), 468, 2022 | 37 | 2022 |
| Anodic molecular hydrogen formation on Ru and Cu electrodes SB Scott, AK Engstfeld, Z Jusys, D Hochfilzer, N Knøsgaard, DB Trimarco, ... Catalysis Science & Technology 10 (20), 6870-6878, 2020 | 16 | 2020 |
| Exploring and machine learning structural instabilities in 2D materials S Manti, MK Svendsen, NR Knøsgaard, PM Lyngby, KS Thygesen npj Computational Materials 9 (1), 33, 2023 | 12 | 2023 |
| Machine Learning Quantum Mechanics for Materials Science NR Knøsgaard Department of Physics, Technical University of Denmark, 2022 | | 2022 |
