| 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 | 2022 | 2020 |
| Tunable non-integer high-harmonic generation in a topological insulator CP Schmid, L Weigl, P Grössing, V Junk, C Gorini, S Schlauderer, S Ito, ... Nature 593 (7859), 385-390, 2021 | 147 | 2021 |
| Toward GW calculations on thousands of atoms J Wilhelm, D Golze, L Talirz, J Hutter, CA Pignedoli Journal of Physical Chemistry Letters 9 (2), 306-312, 2018 | 127 | 2018 |
| On-surface light-induced generation of higher acenes and elucidation of their open-shell character JI Urgel, S Mishra, H Hayashi, J Wilhelm, CA Pignedoli, ... Nature Communications 10 (1), 861, 2019 | 125 | 2019 |
| GW in the Gaussian and plane waves scheme with application to linear acenes J Wilhelm, M Del Ben, J Hutter Journal of Chemical Theory and Computation 12 (8), 3623-3635, 2016 | 116 | 2016 |
| 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 | 112 | 2018 |
| Large-scale cubic-scaling random phase approximation correlation energy calculations using a Gaussian basis J Wilhelm, P Seewald, M Del Ben, J Hutter Journal of Chemical Theory and Computation 12 (12), 5851-5859, 2016 | 86 | 2016 |
| On-surface synthesis of indenofluorene polymers by oxidative five-membered ring formation M Di Giovannantonio, JI Urgel, U Beser, AV Yakutovich, J Wilhelm, ... Journal of the American Chemical Society 140 (10), 3532-3536, 2018 | 70 | 2018 |
| Dynamics of the Bulk Hydrated Electron from Many‐Body Wave‐Function Theory J Wilhelm, J VandeVondele, VV Rybkin Angewandte Chemie International Edition 58 (12), 3890-3893, 2019 | 58 | 2019 |
| Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: Spin-orbit interaction and scattering with local impurity spins J Wilhelm, M Walz, F Evers Physical Review B 92 (1), 014405, 2015 | 53 | 2015 |
| Highly Conducting Single-Molecule Topological Insulators Based on Mono-and Di-Radical Cations L Li, J Low, J Wilhelm, G Liao, S Gunasekaran, C Prindle, R Starr, ... Nature Chemistry 14 (9), 1061-1067, 2022 | 52 | 2022 |
| Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder TT Duignan, GK Schenter, JL Fulton, T Huthwelker, M Balasubramanian, ... Physical Chemistry Chemical Physics 22 (19), 10641-10652, 2020 | 50 | 2020 |
| Graphene Nanoribbons Derived from Zigzag Edge-Encased Poly (para-2, 9-dibenzo [bc, kl] coronenylene) Polymer Chains D Beyer, S Wang, CA Pignedoli, J Melidonie, B Yuan, C Li, J Wilhelm, ... Journal of the American Chemical Society 141 (7), 2843-2846, 2019 | 45 | 2019 |
| 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 | 43 | 2021 |
| Ab initio quantum transport through armchair graphene nanoribbons: Streamlines in the current density J Wilhelm, M Walz, F Evers Physical Review B 89 (19), 195406, 2014 | 41 | 2014 |
| Current patterns and orbital magnetism in mesoscopic dc transport M Walz, J Wilhelm, F Evers Physical Review Letters 113 (13), 136602, 2014 | 38 | 2014 |
| Periodic calculations in the Gaussian and plane-waves scheme J Wilhelm, J Hutter Physical Review B 95 (23), 235123, 2017 | 37 | 2017 |
| Semiconductor Bloch-equations formalism: Derivation and application to high-harmonic generation from Dirac fermions J Wilhelm, P Grössing, A Seith, J Crewse, M Nitsch, L Weigl, C Schmid, ... Physical Review B 103 (12), 125419, 2021 | 36 | 2021 |
| Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C 58-dimers on Au (111) J Wilhelm, M Walz, M Stendel, A Bagrets, F Evers Physical Chemistry Chemical Physics 15 (18), 6684-6690, 2013 | 27 | 2013 |
| Growth Optimization and Device Integration of Narrow‐Bandgap Graphene Nanoribbons G Borin Barin, Q Sun, M Di Giovannantonio, CZ Du, XY Wang, JP Llinas, ... Small 18 (31), 2270164, 2022 | 20 | 2022 |
