Go to content

Publications


      

This publication list is also available on Google Scholar
     


[23] M. Graml, M. Nitsch, A. Seith, F. Evers, J. Wilhelm

Theory of non-integer high-harmonic generation in a topological surface state

arXiv:2205.02631 (2022)


[22] L. Li, J. Low, J. Wilhelm, G. Liao, S. Gunasekaran, C. Prindle, R. Starr, D. Golze, C. Nuckolls, M. Steigerwald, F. Evers, L. Campos, X. Yin, L. Venkataraman

Highly Conducting Single-Molecule Topological Insulators Based on Mono-and Di-Radical Cations

Nature Chemistry 14, 1061-1067 (2022)


[21] G. Borin Barin, Q. Sun, M. Di Giovannantonio, C. Du, X. Wang, J. P. Llinas, Z. Mutlu, Y. Lin, J. Wilhelm, J. Overbeck, C. Daniels, M. Lamparski, H. Sahabudeen, M. L. Perrin, J. I. Urgel, S. Mishra, A. Kinikar, R. Widmer, S. Stolz, M. Bommert, C. Pignedoli, X. Feng, M. Calame, K. Müllen, A. Narita, V. Meunier, J. Bokor, R. Fasel, P. Ruffieux

Growth optimization and device integration of narrow-bandgap graphene nanoribbons

Small 18, 2202301 (2022)


[20] C. P. Schmid, L. Weigl, P. Grössing, V. Junk, C. Gorini, S. Schlauderer, S. Ito, N. Hofmann, D. Afanasiev, J. Crewse, K. A. Kokh, O. E. Tereshchenko, J. Güdde, F. Evers, J. Wilhelm, K. Richter, U. Höfer, and R. Huber

Tunable non-integer high-harmonic generation in a topological insulator

Nature 593, 385-390 (2021)


[19] J. Wilhelm, P. Seewald, D. Golze

Low-scaling GW with benchmark accuracy and application to phosphorene nanosheets

Journal of Chemical Theory and Computation 17, 1662-1677 (2021)


[18] J. Wilhelm, P. Grössing, A. Seith, J. Crewse, M. Nitsch, L. Weigl, C. Schmid, F. Evers

Semiconductor Bloch-equations formalism: Derivation and application to high-harmonic generation from Dirac fermions

Physical Review B 103, 125419 (2021)


[17] T. D. Kühne, M. Iannuzzi, M. Del Ben, V. V. Rybkin, P. Seewald, F. Stein, T. Laino, R. Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M. H. Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A. S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G. K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C. J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Journal of Chemical Physics 152, 194103 (2020)


[16] T. T. Duignan, G. K. Schenter, J. L. Fulton, T. Huthwelker, M. Balasubramanian, M. Galib, M. D. Baer, J. Wilhelm, J. Hutter, M. Del Ben, X. S. Zhao, C. J. Mundy

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob’s Ladder

Physical Chemistry Chemical Physics 22, 10641-10652 (2020)


[15] J. I. Urgel, S. Mishra, H. Hayashi, J. Wilhelm, C. A. Pignedoli, M. Di Giovannantonio, R. Widmer, M. Yamashita, N. Hieda, P. Ruffieux, H. Yamada, R. Fasel

On-surface light-induced generation of higher acenes and elucidation of their open-shell character

Nature Communications 10, 861 (2019)


[14] D. Beyer, S. Wang, C. A. Pignedoli, J. Melidonie, B. Yuan, C. Li, J. Wilhelm, P. Ruffieux, R. Berger, K. Müllen, R. Fasel, X. Feng

Graphene Nanoribbons Derived From Zigzag Edge-Encased Poly (para-2, 9-dibenzo [bc, kl] coronenylene) Polymer Chains

Journal of the American Chemical Society 141, 2843-2846 (2019)


[13] J. Wilhelm, J. VandeVondele, V. V. Rybkin

Dynamics of the Bulk Hydrated Electron from Many‐Body Wave‐Function Theory

Angewandte Chemie International Edition 58, 3890-3893 (2019)


[12] D. Golze, J. Wilhelm, M. J. van Setten, P. Rinke

Core-level binding energies from GW: An efficient full-frequency approach within a localized basis

Journal of Chemical Theory and Computation 14, 4856-4869 (2018)


[11] M. Di Giovannantonio, J. I. Urgel, U. Beser, A. V. Yakutovich, J. Wilhelm, C. A. Pignedoli, P. Ruffieux, A. Narita, K. Müllen, R. Fasel

On-Surface Synthesis of Indenofluorene Polymers by Oxidative Five-Membered Ring Formation

Journal of the American Chemical Society 140, 3532-3536 (2018).


[10] J. Wilhelm, D. Golze, L. Talirz, J. Hutter, C. A. Pignedoli

Toward GW calculations on thousands of atoms

Journal of Physical Chemistry Letters 9, 306-312 (2018).


[9] J. Wilhelm, J. Hutter

Periodic GW calculations in the Gaussian and plane-waves scheme

Physical Review B 95, 235123 (2017)


[8] D. Golze, N. Benedikter, M. Iannuzzi, J. Wilhelm, J. Hutter

Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals

Journal of Chemical Physics 146, 034105 (2017)


[7] J. Wilhelm, P. Seewald, M. Del Ben, J. Hutter

Large-scale cubic-scaling random phase approximation correlation energy calculations using a Gaussian basis

Journal of Chemical Theory and Computation 12, 5851-5859 (2016)


[6] J. Wilhelm, M. Del Ben, J. Hutter

GW in the Gaussian and plane waves scheme with application to linear acenes

Journal of Chemical Theory and Computation 12, 3623-3635 (2016)


[5] J. Wilhelm, M. Walz, F. Evers

Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: Spin-orbit interaction and scattering with local impurity spins

Physical Review B 92, 014405 (2015)


[4] M. Walz, J. Wilhelm, F. Evers

Current patterns and orbital magnetism in mesoscopic dc transport

Physical Review Letters 113, 136602 (2014)


[3] J. Wilhelm, M. Walz, F. Evers

Ab initio quantum transport through armchair graphene nanoribbons: Streamlines in the current density

Physical Review B 89, 195406 (2014)


[2] N. Bajales, S. Schmaus, T. Miyamashi, W. Wulfhekel, J. Wilhelm, M. Walz, M. Stendel, A. Bagrets, F. Evers, S. Ulas, B. Kern, A. Böttcher, M. M. Kappes

C58 on Au (111): A scanning tunneling microscopy study

Journal of Chemical Physics 138, 104703 (2013)


[1] J. Wilhelm, M. Walz, M. Stendel, A. Bagrets, F. Evers

Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C58-dimers on Au(111)

Physical Chemistry Chemical Physics 15, 6684-6690 (2013)


Book

Stoffumwandlungen und Bilanzen: Ein Lehrbuch für Wirtschaftsingenieure, two editions published in 2012 and 2013 (in German; book for Industrial Engineering students at Karlsruhe Institute of Technology to prepare for Chemical Engineering exam; passing the exam was mandatory until 2015 to obtain B.Sc. degree in Industrial Engineering; ISBN: 978-3000431555)


Computational Electronic Structure Theory Group

Contact:

Dr. Jan Wilhelm

      


      

Institute of Theoretical Physics
University of Regensburg
Universitätsstraße 31
D-93053 Regensburg