Publication lists are available on Google Scholar for F. Evers (external link, opens in a new window) and J. Wilhelm (external link, opens in a new window).
- CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T. Kühne, M. Iannuzzi, M. Del Ben, V. Rybkin, P. Seewald, F. Stein, T. Laino, R. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M. Bani-Hashemian, V. Weber, U. Borštnik, M. Taillefumier, A. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack and J. Hutter,
The Journal of Chemical Physics 152, 194103 (2020).
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- Self-consistent-field ensembles of disordered Hamiltonians: Efficient solver and application to superconducting films
M. Stosiek, B. Lang and F. Evers,
Physical Review B 101, 144503 (2020).
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- High-temperature spin dynamics in the Heisenberg chain: Magnon propagation and emerging Kardar-Parisi-Zhang scaling in the zero-magnetization limit
F. Weiner, P. Schmitteckert, S. Bera and F. Evers,
Physical Review B 101, 045115 (2020).
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- Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder
T. Duignan, G. Schenter, J. Fulton, T. Huthwelker, M. Balasubramanian, M. Galib, M. Baer, J. Wilhelm, J. Hutter, M. Del Ben, X. Zhao and C. Mundy,
Physical Chemistry Chemical Physics 22, 10641-10652 (2020).
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- Solitonics with Polyacetylenes
D. Hernangómez-Pérez, S. Gunasekaran, L. Venkataraman and F. Evers,
Nano Letters 20, 2615-2619 (2020).
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- Long-lived circulating currents in strongly correlated nanorings
B. Schoenauer, N. Gergs, P. Schmitteckert, F. Evers and D. Schuricht,
Physical Review Research 1, 022006(R) (2019).
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- Incommensurate Quantum Size Oscillations of Oligoacene Wires Adsorbed on Au(111)
M. van Setten, D. Xenioti, M. Alouani, F. Evers and R. Korytár,
The Journal of Physical Chemistry C 123, 8902-8907 (2019).
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- Enhanced coupling through π-stacking in imidazole-based molecular junctions
T. Fu, S. Smith, M. Camarasa-Gómez, X. Yu, J. Xue, C. Nuckolls, F. Evers, L. Venkataraman and S. Wei,
Chemical Science 10, 9998-10002 (2019).
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- Slow dynamics and strong finite-size effects in many-body localization with random and quasiperiodic potentials
F. Weiner, F. Evers and S. Bera,
Physical Review B 100, 104204 (2019).
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- Near Length-Independent Conductance in Polymethine Molecular Wires
S. Gunasekaran, D. Hernangómez-Pérez, I. Davydenko, S. Marder, F. Evers and L. Venkataraman,
Nano Letters 18, 6387-6391 (2018).
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- Perspective: Theory of quantum transport in molecular junctions
M. Thoss and F. Evers,
The Journal of Chemical Physics 148, 030901 (2018).
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- Hofstadters Schmetterling "Das Ganze ist mehr als die Summe seiner Teile"
F. Evers and K. Richter,
Blick in die Wissenschaft 27, 34-37 (2018).
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- Periodic GW calculations in the Gaussian and plane-waves scheme
J. Wilhelm and J. Hutter,
Physical Review B 95, 235123 (2017).
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- Silver Makes Better Electrical Contacts to Thiol-Terminated Silanes than Gold
H. Li, T. Su, M. Camarasa-Gómez, D. Hernangómez-Pérez, S. Henn, V. Pokorný, C. Caniglia, M. Inkpen, R. Korytár, M. Steigerwald, C. Nuckolls, F. Evers and L. Venkataraman,
Angewandte Chemie International Edition 56, 14145-14148 (2017).
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- Incommensurate quantum-size oscillations in acene-based molecular wires—Effects of quantum fluctuations
P. Schmitteckert, R. Thomale, R. Korytár and F. Evers,
The Journal of Chemical Physics 146, 092320 (2017).
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- Density Propagator for Many-Body Localization: Finite-Size Effects, Transient Subdiffusion, and Exponential Decay
S. Bera, G. De Tomasi, F. Weiner and F. Evers,
Physical Review Letters 118, 196801 (2017).
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- Multiplicity of atomic reconfigurations in an electrochemical Pb single-atom transistor
F. Xie, X. Lin, A. Gross, F. Evers, F. Pauly and T. Schimmel,
Physical Review B 95, 195415 (2017).
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- Preface: Special Topic on Frontiers in Molecular Scale Electronics
F. Evers and L. Venkataraman,
The Journal of Chemical Physics 146, 092101 (2017).
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- Functional renormalization group approach to electronic structure calculations for systems without translational symmetry
C. Seiler and F. Evers,
Physical Review B 94, 155102 (2016).
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- Graphene with vacancies: Supernumerary zero modes
N. Weik, J. Schindler, S. Bera, G. Solomon and F. Evers,
Physical Review B 94, 064204 (2016).
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- Quasi-Particle Self-Consistent GW for Molecules
F. Kaplan, M. Harding, C. Seiler, F. Weigend, F. Evers and M. van Setten,
Journal of Chemical Theory and Computation 12, 2528-2541 (2016).
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- First-principles study of the structure of water layers on flat and stepped Pb electrodes
X. Lin, F. Evers and A. Groß,
Beilstein Journal of Nanotechnology 7, 533-543 (2016).
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- Conductance saturation in a series of highly transmitting molecular junctions
T. Yelin, R. Korytár, N. Sukenik, R. Vardimon, B. Kumar, C. Nuckolls, F. Evers and O. Tal,
Nature Materials 15, 444-449 (2016).
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- Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on Ionization Potentials
F. Kaplan, F. Weigend, F. Evers and M. van Setten,
Journal of Chemical Theory and Computation 11, 5152-5160 (2015).
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- Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: Spin-orbit interaction and scattering with local impurity spins
J. Wilhelm, M. Walz and F. Evers,
Physical Review B 92, 014405 (2015).
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