| Unraveling the light‐activated reaction mechanism in a catalytically competent key intermediate of a multifunctional molecular catalyst for artificial photosynthesis L Zedler, AK Mengele, KM Ziems, Y Zhang, M Wächtler, S Gräfe, ... Angewandte Chemie International Edition 58 (37), 13140-13148, 2019 | 58 | 2019 |
| Attosecond core-level absorption spectroscopy reveals the electronic and nuclear dynamics of molecular ring opening S Severino, KM Ziems, M Reduzzi, A Summers, HW Sun, YH Chien, ... Nature Photonics 18 (7), 731-737, 2024 | 37* | 2024 |
| Novel [FeFe]-Hydrogenase Mimics: Unexpected Course of the Reaction of Ferrocenyl α-Thienyl Thioketone with Fe3(CO)12 AQ Daraosheh, H Abul-Futouh, N Murakami, KM Ziems, H Görls, S Kupfer, ... Materials 15 (8), 2867, 2022 | 20 | 2022 |
| Quantum equation of motion with orbital optimization for computing molecular properties in near-term quantum computing PWK Jensen, ER Kjellgren, P Reinholdt, KM Ziems, S Coriani, J Kongsted, ... Journal of Chemical Theory and Computation 20 (9), 3613-3625, 2024 | 18 | 2024 |
| Critical Limitations in Quantum-Selected Configuration Interaction Methods P Reinholdt, KM Ziems, ER Kjellgren, S Coriani, SPA Sauer, J Kongsted Journal of Chemical Theory and Computation, 2025 | 17* | 2025 |
| Which options exist for NISQ-friendly linear response formulations? KM Ziems, ER Kjellgren, P Reinholdt, PWK Jensen, SPA Sauer, ... Journal of Chemical Theory and Computation 20 (9), 3551-3565, 2024 | 17 | 2024 |
| Post-ionization dynamics of the polar molecule OCS in asymmetric laser fields T Endo, KM Ziems, M Richter, FG Fröbel, A Hishikawa, S Gräfe, F Légaré, ... Frontiers in Chemistry 10, 859750, 2022 | 16 | 2022 |
| Photo-Induced Charge Separation vs. Degradation of a BODIPY-Based Photosensitizer Assessed by TDDFT and RASPT2 KM Ziems, S Gräfe, S Kupfer Catalysts 8 (11), 520, 2018 | 15 | 2018 |
| Subspace methods for the simulation of molecular response properties on a quantum computer P Reinholdt, ER Kjellgren, JH Fuglsbjerg, KM Ziems, S Coriani, ... Journal of Chemical Theory and Computation 20 (9), 3729-3740, 2024 | 13 | 2024 |
| Reduced density matrix formulation of quantum linear response TJ von Buchwald, KM Ziems, ER Kjellgren, SPA Sauer, J Kongsted, ... Journal of Chemical Theory and Computation 20 (16), 7093-7101, 2024 | 9 | 2024 |
| Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers KM Ziems, ER Kjellgren, SPA Sauer, J Kongsted, S Coriani Chemical Science 16 (10), 4456-4468, 2025 | 8 | 2025 |
| SlowQuant E Kjellgren, KM Ziems GitHub. https://github. com/erikkjellgren/SlowQuant/tree/master, 2024 | 8 | 2024 |
| Laser-induced electron diffraction in the over-the-barrier-ionization regime B Belsa, KM Ziems, A Sanchez, K Chirvi, X Liu, S Gräfe, J Biegert Physical Review A 106 (4), 043105, 2022 | 8 | 2022 |
| The contribution of Compton ionization to ultrafast x-ray scattering KM Ziems, M Simmermacher, S Gräfe, A Kirrander The Journal of Chemical Physics 159 (4), 2023 | 7 | 2023 |
| The impact of electron–electron correlation in ultrafast attosecond single ionization dynamics FG Fröbel, KM Ziems, U Peschel, S Gräfe, A Schubert Journal of Physics B: Atomic, Molecular and Optical Physics 53 (14), 144005, 2020 | 7 | 2020 |
| Divergences in classical and quantum linear response and equation of motion formulations ER Kjellgren, P Reinholdt, KM Ziems, S Sauer, S Coriani, J Kongsted The Journal of Chemical Physics 161 (12), 2024 | 6 | 2024 |
| Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators D Nagy, P Reinholdt, PWK Jensen, ER Kjellgren, KM Ziems, A Fitzpatrick, ... The Journal of Physical Chemistry A 128 (30), 6305-6315, 2024 | 5 | 2024 |
| Self-consistent Quantum Linear Response with a Polarizable Embedding Environment P Reinholdt, E Kjellgren, KM Ziems, S Coriani, SPA Sauer, J Kongsted The Journal of Physical Chemistry A 129 (5), 1504-1515, 2025 | 4 | 2025 |
| Attosecond ionization dynamics of modulated, few-cycle XUV pulses KM Ziems, M Wollenhaupt, S Gräfe, A Schubert Journal of Physics B: Atomic, Molecular and Optical Physics 56 (10), 105602, 2023 | 4 | 2023 |
| Hyperfine coupling constants on quantum computers: Performance, errors, and future prospects PWK Jensen, GS Hedemark, KM Ziems, ER Kjellgren, P Reinholdt, ... Journal of Chemical Theory and Computation 21 (16), 7878-7889, 2025 | 2 | 2025 |
Erik KjellgrenUniversity of Southern DenmarkVerified email at sdu.dk
