CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ... The Journal of Chemical Physics 152 (19), 2020 | 1734 | 2020 |

The *GW* Compendium: A Practical Guide to Theoretical Photoemission SpectroscopyD Golze, M Dvorak, P Rinke Frontiers in chemistry 7, 377, 2019 | 338 | 2019 |

Toward *GW* Calculations on Thousands of AtomsJ Wilhelm, D Golze, L Talirz, J Hutter, CA Pignedoli The journal of physical chemistry letters 9 (2), 306-312, 2018 | 120 | 2018 |

Importance of dispersion forces for prediction of thermodynamic and transport properties of some common ionic liquids EI Izgorodina, D Golze, R Maganti, V Armel, M Taige, TJS Schubert, ... Physical Chemistry Chemical Physics 16 (16), 7209-7221, 2014 | 113 | 2014 |

Core-Level Binding Energies from *GW*: An Efficient Full-Frequency Approach within a Localized BasisD Golze, J Wilhelm, MJ Van Setten, P Rinke Journal of chemical theory and computation 14 (9), 4856-4869, 2018 | 107 | 2018 |

Accurate Absolute and Relative Core-Level Binding Energies from *GW*D Golze, L Keller, P Rinke The journal of physical chemistry letters 11 (5), 1840-1847, 2020 | 80 | 2020 |

Simulation of adsorption processes at metallic interfaces: an image charge augmented QM/MM approach D Golze, M Iannuzzi, MT Nguyen, D Passerone, J Hutter Journal of chemical theory and computation 9 (11), 5086-5097, 2013 | 70 | 2013 |

Atomic structures and orbital energies of 61,489 crystal-forming organic molecules A Stuke, C Kunkel, D Golze, M Todorović, JT Margraf, K Reuter, P Rinke, ... Scientific data 7 (1), 58, 2020 | 68 | 2020 |

Wetting of water on hexagonal boron nitride@ Rh (111): a QM/MM model based on atomic charges derived for nano-structured substrates D Golze, J Hutter, M Iannuzzi Physical Chemistry Chemical Physics 17 (22), 14307-14316, 2015 | 49 | 2015 |

Highly conducting single-molecule topological insulators based on mono-and di-radical cations L Li, JZ Low, J Wilhelm, G Liao, S Gunasekaran, CR Prindle, RL Starr, ... Nature Chemistry 14 (9), 1061-1067, 2022 | 44 | 2022 |

Low-Scaling *GW* with Benchmark Accuracy and Application to Phosphorene NanosheetsJ Wilhelm, P Seewald, D Golze Journal of Chemical Theory and Computation 17 (3), 1662-1677, 2021 | 40 | 2021 |

Accurate computational prediction of core-electron binding energies in carbon-based materials: A machine-learning model combining density-functional theory and GW D Golze, M Hirvensalo, P Hernández-León, A Aarva, J Etula, T Susi, ... Chemistry of Materials 34 (14), 6240-6254, 2022 | 33 | 2022 |

Benchmark of *GW* Methods for Core-Level Binding EnergiesJ Li, Y Jin, P Rinke, W Yang, D Golze Journal of Chemical Theory and Computation 18 (12), 7570-7585, 2022 | 32 | 2022 |

All-Electron BSE@*GW* Method for *K*-Edge Core Electron Excitation EnergiesY Yao, D Golze, P Rinke, V Blum, Y Kanai Journal of Chemical Theory and Computation 18 (3), 1569-1583, 2022 | 24 | 2022 |

Relativistic correction scheme for core-level binding energies from GW L Keller, V Blum, P Rinke, D Golze The Journal of chemical physics 153 (11), 2020 | 19 | 2020 |

Quantum embedding theory in the screened Coulomb interaction: Combining configuration interaction with M Dvorak, D Golze, P Rinke Physical Review Materials 3 (7), 070801, 2019 | 19 | 2019 |

Silver-stabilized guanine duplex: Structural and optical properties X Chen, E Makkonen, D Golze, O Lopez-Acevedo The Journal of Physical Chemistry Letters 9 (16), 4789-4794, 2018 | 19 | 2018 |

Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals D Golze, N Benedikter, M Iannuzzi, J Wilhelm, J Hutter The Journal of chemical physics 146 (3), 2017 | 15 | 2017 |

Local fitting of the Kohn–Sham density in a Gaussian and plane waves scheme for large-scale density functional theory simulations D Golze, M Iannuzzi, J Hutter Journal of chemical theory and computation 13 (5), 2202-2214, 2017 | 11 | 2017 |

Accelerating core-level calculations by combining the contour deformation approach with the analytic continuation of RL Panadés-Barrueta, D Golze Journal of Chemical Theory and Computation 19 (16), 5450-5464, 2023 | 9 | 2023 |