Wissenschaftliche Publikationen

Saigal, N.; Klebl, L.; Lambers, H.; Bahmanyar, S.; Antić, V.; Kennes, D. M.; Wehling, T. O.; Wurstbauer, U.: Collective Charge Excitations between Moiré Minibands in Twisted WSe₂ Bilayers Probed with Resonant Inelastic Light Scattering. Physical Review Letters 133 (4), 046902 (2027)

Ghiringhelli, L. M.; Rossi, M.: Reliable quantification of uncertainties: the biggest challenge for data-centric materials modelling? Modelling and Simulation in Materials Science and Engineering 32 (6), S. 13 - 15 (2024)

Kokott, S.; Marek, A.; Merz, F.; Karpov, P.; Carbogno, C.; Rossi, M.; Rampp, M.; Blum, V.; Scheffler, M.: Towards efficient and accurate input for data-driven materials science from large-scale all-electron density functional theory (DFT) simulations. Modelling and Simulation in Materials Science and Engineering 32 (6), S. 28 - 31 (2024)

Fan, Y.; Wang, H.; Tang, P.; Murakami, S.; Wan, X.; Zhang, H.; Xing, D.: Symmetry-driven anisotropic coupling effect in antiferromagnetic topological insulator: Mechanism for a quantum anomalous Hall state with a high Chern number. Physical Review B 110 (3), 035139 (2024)

Simon, J. R.; Maksimov, D.; Lotze, C.; Wiechers, P.; Felipe, J. P. G.; Kobin, B.; Schwarz, J.; Hecht, S.; Franke, K. J.; Rossi, M.: Atomic-scale perspective on individual thiol-terminated molecules anchored to single S vacancies in MoS₂. Physical Review B 110 (4), 045407 (2024)

Kokott, S.; Merz, F.; Yao, Y.; Carbogno, C.; Rossi, M.; Havu, V.; Rampp, M.; Scheffler, M.; Blum, V.: Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms. The Journal of Chemical Physics 161 (2), 024112 (2024)

Profe, J. B.; Beck, S.; Kennes, D. M.; Georges, A.; Gingras, O.: Competition between d-wave superconductivity and magnetism in uniaxially strained Sr₂RuO₄. npj Quantum Materials 9 (1), 53 (2024)

Neufeld, O.; Tancogne-Dejean, N.; Rubio, A.: Benchmarking Functionals for Strong-Field Light-Matter Interactions in Adiabatic Time-Dependent Density Functional Theory. The Journal of Physical Chemistry Letters 15 (28), S. 7254 - 7264 (2024)

Nakagawa, K.; Mao, W.; Sato, S.; Ago, H.; Rubio, A.; Kanemitsu, Y.; Hirori, H.: Hot electron effect in high-order harmonic generation from graphene driven by elliptically polarized light. APL Photonics 9 (7), 076107 (2024)

Estry, A.; Putzke, C.; Guo, C.; Bachmann, M.; Duvakina, A.; Posva, F.; Diaz, J.; Gawryluk, D. J.; Medarde, M.; Moll, P. J. W.: Elastic moduli from crystalline micro-mechanical oscillators carved by focused ion beam. Review of Scientific Instruments 95 (7), 073905 (2024)

Xiao, K.; Dong, W.-H.; Wang, X.; Yu, J.; Fu, D.; Hu, Z.; Guo, Y.; Zhang, Q.; Hou, X.; Guo, Y. et al.; Yang, L.; Xu, Y.; Tang, P.; Duan, W.; Xue, Q.; Li, W.: Hidden Charge Order and Multiple Electronic Instabilities in EuTe4. Nano Letters 24 (25), S. 7681 - 7687 (2024)

Lawrence, J. E.; Mannouch, J.; Richardson, J. O.: A size-consistent multi-state mapping approach to surface hopping. The Journal of Chemical Physics 160 (24), 244112 (2024)

Mao, W.; Rubio, A.; Sato, S.: Nonlinear Current Injection in Hexagonal Boron Nitride using Linearly Polarized Light in a Deeply Off-Resonant Regime. Advanced Optical Materials, 2400651 (2024)

Baxter, J. M.; Hutchison, C. D. M.; Fadini, A.; Maghlaoui, K.; Cordon-Preciado, V.; Morgan, R. M. L.; Agthe, M.; Horrell, S.; Tellkamp, F.; Mehrabi, P. et al.; Pfeifer, Y.; Müller-Werkmeister, H. M.; von Stetten, D.; Pearson, A. R.; van Thor, J. J.: Power Density Titration of Reversible Photoisomerization of a Fluorescent Protein Chromophore in the Presence of Thermally Driven Barrier Crossing Shown by Quantitative Millisecond Serial Synchrotron X-ray Crystallography. Journal of the American Chemical Society 146 (24), S. 16394 - 16403 (2024)

Shen, Z.; Xavier, P. L.; Bean, R.; Bielecki, J.; Bergemann, M.; Daurer, B. J.; Ekeberg, T.; Estillore, A. D.; Fangohr, H.; Giewekemeyer, K. et al.; Karnevskiy, M.; Kirian, R. A.; Kirkwood, H.; Kim, Y.; Koliyadu, J. C. P.; Lange, H.; Letrun, R.; Lübke, J.; Mall, A.; Michelat, T.; Morgan, A. J.; Roth, N.; Samanta, A. K.; Sato, T.; Sikorski, M.; Schulz, F.; Vagovic, P.; Wollweber, T.; Worbs, L.; Maia, F.; Horke, D. A.; Küpper, J.; Mancuso, A. P.; Chapman, H.; Ayyer, K.; Loh, N. D.: Resolving Nonequilibrium Shape Variations among Millions of Gold Nanoparticles. ACS Nano 18 (24), S. 15576 - 15589 (2024)

Daugherty, M. C.; Jacobse, P. H.; Jiang, J.; Jornet-Somoza, J.; Dorit, R.; Wang, Z.; Lu, J.; McCurdy, R.; Tang, W.; Rubio, A. et al.; Louie, S. G.; Crommie, M. F.; Fischer, F. R.: Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons. Journal of the American Chemical Society 146 (23), S. 15879 - 15886 (2024)

Hübener, H.; Viñas Boström, E.; Claassen, M.; Latini, S.; Rubio, A.: Quantum materials engineering by structured cavity vacuum fluctuations. Materials for Quantum Technology 4 (2), 023002 (2024)

Yan, H.; Mao, H.; Qin, P.; Wang, J.; Liang, H.; Zhou, X.; Wang, X.; Chen, H.; Meng, Z.; Liu, L. et al.; Zhao, G.; Duan, Z.; Zhu, Z.; Fang, B.; Zeng, Z.; Bettiol, A. A.; Zhang, Q.; Tang, P.; Jiang, C.; Liu, Z.: An antiferromagnetic spin phase change memory. Nature Communications 15 (1), 4978 (2024)

Bustamante, C.; Todorov, T.; Gadea, E. D.; Tarasi, F.; Stella, L.; Horsfield, A.; Scherlis, D. A.: Modeling the electroluminescence of atomic wires from quantum dynamics simulations. The Journal of Chemical Physics 160 (21), 214102 (2024)

Enkner, J.; Graziotto, L.; Appugliese, F.; Rokaj, V.; Wang, J.; Ruggenthaler, M.; Reichl, C.; Wegscheider, W.; Rubio, A.; Faist, J.: Testing the Renormalization of the von Klitzing Constant by Cavity Vacuum Fields. Physical Review X 14 (2), 021038 (2024)