Wissenschaftliche Publikationen

Günther, S.; Reinke, P. Y. A.; Fernández-García, Y.; Lieske, J.; Lane, T. J.; Ginn, H. M.; Koua, F. H. M.; Ehrt, C.; Ewert, W.; Oberthuer, D. et al.; Yefanov, O.; Meier, S.; Lorenzen, K.; Krichel, B.; Kopicki, J.-D.; Gelisio, L.; Brehm, W.; Dunkel, I.; Seychell, B.; Gieseler, H.; Norton-Baker, B.; Escudero-Pérez, B.; Domaracky, M.; Saouane, S.; Tolstikova, A.; White, T. A.; Hänle, A.; Groessler, M.; Fleckenstein, H.; Trost, F.; Galchenkova, M.; Gevorkov, Y.; Li, C.; Awel, S.; Peck, A.; Barthelmess, M.; Schlünzen, F.; Paulraj, L. X.; Werner, N.; Andaleeb, H.; Ullah, N.; Falke, S.; Srinivasan, V.; Franca, B. A.; Schwinzer, M.; Brognaro, H.; Rogers, C.; Melo, D.; Zaitsev-Doyle, J. J.; Knoska, J.; Murillo, G. E. P.; Mashhour, A. R.; Guicking, F.; Hennicke, V.; Fischer, P.; Hakanpää, J.; Meyer, J.; Gribbon, P.; Ellinger, B.; Kuzikov, M.; Wolf, M.; Beccari, A. R.; Bourenkov, G.; von Stetten, D.; Pompidor, G.; Bento, I.; Panneerselvam, S.; Karpics, I.; Schneider, T. R.; Alai, M. M. G.; Niebling, S.; Günther, C.; Schmidt, C.; Schubert, R.; Han, H.; Boger, J.; Monteiro, D. C. F.; Zhang, L.; Sun, X.; Pletzer-Zelgert, J.; Wollenhaupt, J.; Feiler, C. G.; Weiss, M. S.; Schulz, E.-C.; Mehrabi, P.; Karničar, K.; Usenik, A.; Loboda, J.; Tidow, H.; Chari, A.; Hilgenfeld, R.; Uetrecht, C.; Cox, R.; Zaliani, A.; Beck, T.; Rarey, M.; Günther, S.; Turk, D.; Hinrichs, W.; Chapman, H. N.; Pearson, A. ..; Betzel, C.; Meents, A.: X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, eabf7945 (2021)

Yu, T.; Wang, C.; Sentef, M. A.; Bauer, G. E. W.: Spin-Wave Doppler Shift by Magnon Drag in Magnetic Insulators. Physical Review Letters 126 (13), 137202 (2021)

Haynes, D.; Wurzer, M.; Schletter, A.; Al-Haddad, A.; Blaga, C.; Bostedt, C.; Bozek, J.; Bucher, M.; Camper, A.; Carron, S. et al.; Coffee, R.; Costello, J. T.; DiMauro, L. F.; Ding, Y.; Ferguson, K.; Grguraš, I.; Helml, W.; Hoffmann, M. C.; Ilchen, M.; Jalas, S.; Kabachnik, N. M.; Kazansky, A. K.; Kienberger, R.; Maier, A. R.; Maxwell, T.; Mazza, T.; Meyer, M.; Park, H.; Robinson, J. S.; Roedig, C.; Schlarb, H.; Singla, R.; Tellkamp, F.; Zhang, K.; Doumy, G.; Behrens, C.; Cavalieri, A. L.: Clocking Auger electrons. Nature Physics 17 (4), S. 512 - 518 (2021)

Hübener, H.; de Giovannini, U.; Schäfer, C.; Andberger, J.; Ruggenthaler, M.; Faist, J.; Rubio, A.: Engineering quantum materials with chiral optical cavities. Nature Materials 20 (4), S. 438 - 442 (2021)

Yu, T.; Claassen, M.; Kennes, D. M.; Sentef, M. A.: Optical manipulation of domains in chiral topological superconductors. Physical Review Research 3 (1), 013253 (2021)

Abdo, M.; Sheng, S.; Rolf-Pissarczyk, S.; Arnhold, L.; Burgess, J. A. J.; Isobe, M.; Malavolti, L.; Loth, S.: Variable Repetition Rate THz Source for Ultrafast Scanning Tunneling Microscopy. ACS Photonics 8 (3), S. 702 - 708 (2021)

Buzzi, M.; Jotzu, G.; Cavalleri, A.; Cirac, J. I.; Demler, E. A.; Halperin, B. I.; Lukin, M. D.; Shi, T.; Wang, Y.; Podolsky, D.: Higgs-Mediated Optical Amplification in a Nonequilibrium Superconductor. Physical Review X 11 (1), 011055 (2021)

Mehrabi, P.; Bücker, R.; Bourenkov, G.; Ginn, H.; von Stetten, D.; Mueller-Werkmeister, H. M.; Kuo, A.; Morizumi, T.; Eger, B.; Ou, W.-L. et al.; Oghbaey, S.; Sarracini, A.; Besaw, J.; Paré-Labrosse, O.; Meier, S.; Schikora, H.; Tellkamp, F.; Marx, A.; Sherrell, D. A.; Axford, D.; Owen, R. L.; Ernst, O. P.; Pai, E. F.; Schulz, E.-C.; Miller, R. J. D.: Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison. Science Advances 7 (12), eabf1380 (2021)

Schlawin, F.; Dorfman, K. E.; Mukamel, S.: Detection of photon statistics and multimode field correlations by Raman processes. The Journal of Chemical Physics 154 (10), 104116 (2021)

Williams, J. R.; Tancogne-Dejean, N.; Ullrich, C. A.: Time-Resolved Exciton Wave Functions from Time-Dependent Density-Functional Theory. Journal of Chemical Theory and Computation 17 (3), S. 1795 - 1805 (2021)

Haugland, T. S.; Schäfer, C.; Ronca, E.; Rubio, A.; Koch, H.: Intermolecular interactions in optical cavities: An ab initio QED study. The Journal of Chemical Physics 154 (9), 094113 (2021)

Yao, K.; Finney, N. R.; Zhang, J.; Moore, S. L.; Xian, L. D.; Tancogne-Dejean, N.; Liu, F.; Ardelean, J.; Xu, X.; Halbertal, D. et al.; Watanabe, K.; Taniguchi, T.; Ochoa, H.; Asenjo-Garcia, A.; Zhu, X.; Basov, D. N.; Rubio, A.; Dean, C. R.; Hone, J.; Schuck, P. J.: Enhanced tunable second harmonic generation from twistable interfaces and vertical superlattices in boron nitride homostructures. Science Advances 7 (10), eabe8691 (2021)

Beg, M.; Taka, J.; Kluyver, T.; Konovalov, A.; Ragan-Kelley, M.; Thiery, N.; Fangohr, H.: Using Jupyter for Reproducible Scientific Workflows. Computing in Science & Engineering 23 (2), S. 36 - 46 (2021)

Marciniak, A.; Marcantoni, S.; Giusti, F.; Glerean, F.; Sparapassi, G.; Nova, T. F.; Cartella, A.; Latini, S.; Valiera, F.; Rubio, A. et al.; van den Brink, J.; Benatti, F.; Fausti, D.: Vibrational coherent control of localized d–d electronic excitation. Nature Physics 17 (3), S. 368 - 373 (2021)

Pérez Paz, A.; Rubio, A.: Hydrated Alkali Atoms on Copper(111): A Density Functional Theory Study. The Journal of Physical Chemistry C 125 (7), S. 3868 - 3879 (2021)

da Silva, M. C.; Lorke, M.; Aradi, B.; Farzalipour Tabriz, M.; Frauenheim, T.; Rubio, A.; Rocca, D.; Deák, P.: Self-Consistent Potential Correction for Charged Periodic Systems. Physical Review Letters 126 (7), 076401 (2021)

Lucchini, M.; Sato, S.; Lucarelli, G. D.; Moio, B.; Inzani, G.; Borrego-Varillas, R.; Frassetto, F.; Poletto, L.; Hübener, H.; de Giovannini, U. et al.; Rubio, A.; Nisoli, M.: Unravelling the intertwined atomic and bulk nature of localised excitons by attosecond spectroscopy. Nature Communications 12, 1021 (2021)

Liu, B.; Xian, L. D.; Mu, H.; Zhao, G.; Liu, Z.; Rubio, A.; Wang, Z. .: Higher-Order Band Topology in Twisted Moiré Superlattice. Physical Review Letters 126 (6), 066401 (2021)

König, C.; Krewald, V.; Roemelt, M.; Rossi, M.: Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL. International Journal of Quantum Chemistry 121 (3), e26587 (2021)

Maksimov, D.; Baldauf, C.; Rossi, M.: The conformational space of a flexible amino acid at metallic surfaces. International Journal of Quantum Chemistry 121 (3), e26369 (2021)