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), 194103, 2020
1091 2020 The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy D Golze, M Dvorak, P Rinke
Frontiers in chemistry 7, 377, 2019
247 2019 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
108 2014 Toward GW Calculations on Thousands of Atoms J Wilhelm, D Golze, L Talirz, J Hutter, CA Pignedoli
The journal of physical chemistry letters 9 (2), 306-312, 2018
95 2018 Core-Level Binding Energies from GW : An Efficient Full-Frequency Approach within a Localized Basis D Golze, J Wilhelm, MJ Van Setten, P Rinke
Journal of chemical theory and computation 14 (9), 4856-4869, 2018
92 2018 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
67 2013 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
60 2020 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
47 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
44 2015 Low-Scaling GW with Benchmark Accuracy and Application to Phosphorene Nanosheets J Wilhelm, P Seewald, D Golze
Journal of Chemical Theory and Computation 17 (3), 1662-1677, 2021
29 2021 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
17 2019 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
16 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), 114110, 2020
16 2020 All-Electron BSE@GW Method for K -Edge Core Electron Excitation Energies Y Yao, D Golze, P Rinke, V Blum, Y Kanai
Journal of Chemical Theory and Computation 18 (3), 1569-1583, 2022
15 2022 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
14 2018 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
13 2022 Benchmark of GW Methods for Core-Level Binding Energies J Li, Y Jin, P Rinke, W Yang, D Golze
Journal of Chemical Theory and Computation 18 (12), 7570-7585, 2022
11 2022 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), 034105, 2017
11 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
8 2017 Implementation of two‐qubit and three‐qubit quantum computers using liquid‐state nuclear magnetic resonance D Golze, M Icker, S Berger
Concepts in Magnetic Resonance Part A 40 (1), 25-37, 2012
6 2012 
Patrick RinkeProfessor at Aalto University, HelsinkiBestätigte E-Mail-Adresse bei aalto.fi
