| The Molpro quantum chemistry package HJ Werner, PJ Knowles, FR Manby, JA Black, K Doll, A Heßelmann, ... The Journal of chemical physics 152 (14), 2020 | 935 | 2020 |
| Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence DA Kreplin, PJ Knowles, HJ Werner The Journal of chemical physics 150 (19), 2019 | 111 | 2019 |
| Accurate thermochemistry from explicitly correlated distinguishable cluster approximation D Kats, D Kreplin, HJ Werner, FR Manby The Journal of chemical physics 142 (6), 2015 | 72 | 2015 |
| MCSCF optimization revisited. II. Combined first-and second-order orbital optimization for large molecules DA Kreplin, PJ Knowles, HJ Werner The Journal of Chemical Physics 152 (7), 2020 | 69 | 2020 |
| Reduction of finite sampling noise in quantum neural networks DA Kreplin, M Roth Quantum 8, 1385, 2024 | 7 | 2024 |
| sQUlearn – A Python Library for Quantum Machine Learning DA Kreplin, M Willmann, J Schnabel, F Rapp, M Roth arXiv preprint arXiv:2311.08990, 2023 | 2 | 2023 |
| AutoQML - a Framework for Automated Quantum Machine Learning D Klau, H Krause, D Kreplin, M Roth, CK Tutschku, MA Zöller | 2 | 2023 |
| A combined first-and second-order optimization method for improving convergence of Hartree–Fock and Kohn–Sham calculations DA Kreplin, HJ Werner The Journal of Chemical Physics 156 (21), 2022 | 2 | 2022 |
| Multiconfiguration Self-consistent Field Methods for Large Molecules DA Kreplin Universität Stuttgart, 2020 | 1 | 2020 |
| Reinforcement learning-based architecture search for quantum machine learning F Rapp, DA Kreplin, MF Huber, M Roth arXiv preprint arXiv:2406.02717, 2024 | | 2024 |
| The MCSCF program MULTI PJ Knowles, HJ Werner, D Kreplin | | |