Jan Wilhelm
Jan Wilhelm
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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
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
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
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
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
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
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
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
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
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
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
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
Current patterns and orbital magnetism in mesoscopic dc transport
M Walz, J Wilhelm, F Evers
Physical Review Letters 113 (13), 136602, 2014
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
Periodic calculations in the Gaussian and plane-waves scheme
J Wilhelm, J Hutter
Physical Review B 95 (23), 235123, 2017
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
C58 on Au (111): A scanning tunneling microscopy study
N Bajales, S Schmaus, T Miyamashi, W Wulfhekel, J Wilhelm, M Walz, ...
The Journal of Chemical Physics 138 (10), 104703, 2013
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
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
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
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