Publications

Publications

Journal Article (243)

2020
Journal Article
A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations
F. Bonafé, B. Aradi, B. Hourahine, C. R. Medrano, F. J. Hernández, T. Frauenheim, C. G. Sánchez
Journal of Chemical Theory and Computation 16 (7), 4454–4469 (2020)
Journal Article
Quantum to classical crossover of Floquet engineering in correlated quantum systems
M. A. Sentef, J. Li, F. Künzel, M. Eckstein
Physical Review Research 2 (3), 033033 (2020)
Journal Article
[News & Views:] Atomic forces mapped out by lasers
Nature 583 (7814), 35–36 (2020)
Journal Article
Direct Observation of Incommensurate–Commensurate Transition in Graphene-hBN Heterostructures via Optical Second Harmonic Generation
E. A. Stepanov, S. V. Semin, C. R. Woods, M. Vandelli, A. V. Kimel, K. S. Novoselov, M. I. Katsnelson
ACS Applied Materials and Interfaces 12 (24), 27758–27764 (2020)
Journal Article
On‐Surface Assembly of Hydrogen‐ and Halogen‐Bonded Supramolecular Graphyne‐Like Networks
Z. Yang, L. Fromm, T. Sander, J. Gebhardt, T. A. Schaub, A. Görling, M. Kivala, S. Maier
Angewandte Chemie International Edition 59 (24), 9549–9555 (2020)
Journal Article
Setting the photoelectron clock through molecular alignment
A. Trabattoni, J. Wiese, U. de Giovannini, J.-F. Olivieri, T. Mullins, J. Onvlee, S.-K. Son, B. Frusteri, A. Rubio, S. Trippel, J. Küpper
Nature Communications 11 (1), 2546 (2020)
Journal Article
Contrasting Efficiency of Electron-Induced Reaction at Cu(110) in Aliphatic and Aromatic Bromides
M. J. Timm, L. Leung, K. Anggara, T. Lim, Z. Hu, S. Latini, A. Rubio, J. C. Polanyi
Journal of the American Chemical Society 142 (20), 9453–9459 (2020)
Journal Article
Floquet Engineering Topological Many-Body Localized Systems
K. S. C. Decker, C. Karrasch, J. Eisert, D. M. Kennes
Physical Review Letters 124 (19), 190601 (2020)
Journal Article
Nature of Symmetry Breaking at the Excitonic Insulator Transition: Ta2NiSe5
G. Mazza, M. Rösner, L. Windgätter, S. Latini, H. Hübener, A. J. Millis, A. Rubio, A. Georges
Physical Review Letters 124, 197601 (2020)
Journal Article
Berry curvature engineering by gating two-dimensional antiferromagnets
S. Du, P. Tang, J. Li, Z. Lin, Y. Xu, W. Duan, A. Rubio
Physical Review Research 2 (2), 022025(R) (2020)
Journal Article
Unique continuation for the magnetic Schrödinger equation
A. Laestadius, M. Benedicks, M. Penz
International Journal of Quantum Chemistry 120 (8), e26149 (2020)
Journal Article
Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
ACS Photonics 7 (4), 975–990 (2020)
Journal Article
Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface
M. Jacobs, J. Krumland, A. M. Valencia, H. Wang, M. Rossi, C. Cocchi
Advances in Physics: X 5 (1), 1749883 (2020)
Journal Article
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B. Hourahine, B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrică, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubař, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J. Řezáč, C. G. Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.-z. Yu, T. Frauenheim
The Journal of Chemical Physics 152 (12), 124101 (2020)
Journal Article
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
Journal Article
Electron–phonon-driven three-dimensional metallicity in an insulating cuprate
E. Baldini, M. A. Sentef, S. Acharya, T. Brumme, E. Sheveleva, F. Lyzwa, E. Pomjakushina, C. Bernhard, M. van Schilfgaarde, F. Carbone, A. Rubio, C. Weber
Proceedings of the National Academy of Sciences of the United States of America 117 (12), 6409–6416 (2020)
Journal Article
Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions
A. Riss, M. Richter, A. Pérez Paz, X.-Y. Wang, R. Raju, Y. He, J. Ducke, E. Corral, M. Wuttke, K. Seufert, M. Garnica, A. Rubio, J. V. Barth, A. Narita, K. Müllen, R. Berger, X. Feng, C.-A. Palma, W. Auwärter
Nature Communications 11 (1), 1490 (2020)
Journal Article
One-dimensional flat bands in twisted bilayer germanium selenide
Nature Communications 11 (1), 1124 (2020)
Journal Article
Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials
Science Advances 6 (9), eaay2730 (2020)
Journal Article
Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation
I. Piskun, R. Blackwell, J. Jornet-Somoza, F. Zhao, A. Rubio, S. G. Louie, F. R. Fischer
Journal of the American Chemical Society 142 (8), 3696–3700 (2020)
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