MPSD Publications

MPSD Publications

Journal Article (893)

2021
Journal Article
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
S. Günther, P. Y. A. Reinke, Y. Fernández-García, J. Lieske, T. J. Lane, H. M. Ginn, F. H. M. Koua, C. Ehrt, W. Ewert, D. Oberthuer, O. Yefanov, S. Meier, K. Lorenzen, B. Krichel, J.-D. Kopicki, L. Gelisio, W. Brehm, I. Dunkel, B. Seychell, H. Gieseler, B. Norton-Baker, B. Escudero-Pérez, M. Domaracky, S. Saouane, A. Tolstikova, T. A. White, A. Hänle, M. Groessler, H. Fleckenstein, F. Trost, M. Galchenkova, Y. Gevorkov, C. Li, S. Awel, A. Peck, M. Barthelmess, F. Schlünzen, L. X. Paulraj, N. Werner, H. Andaleeb, N. Ullah, S. Falke, V. Srinivasan, B. A. Franca, M. Schwinzer, H. Brognaro, C. Rogers, D. Melo, J. J. Zaitsev-Doyle, J. Knoska, G. E. P. Murillo, A. R. Mashhour, F. Guicking, V. Hennicke, P. Fischer, J. Hakanpää, J. Meyer, P. Gribbon, B. Ellinger, M. Kuzikov, M. Wolf, A. R. Beccari, G. Bourenkov, D. von Stetten, G. Pompidor, I. Bento, S. Panneerselvam, I. Karpics, T. R. Schneider, M. M. G. Alai, S. Niebling, C. Günther, C. Schmidt, R. Schubert, H. Han, J. Boger, D. C. F. Monteiro, L. Zhang, X. Sun, J. Pletzer-Zelgert, J. Wollenhaupt, C. G. Feiler, M. S. Weiss, E.-C. Schulz, P. Mehrabi, K. Karničar, A. Usenik, J. Loboda, H. Tidow, A. Chari, R. Hilgenfeld, C. Uetrecht, R. Cox, A. Zaliani, T. Beck, M. Rarey, S. Günther, D. Turk, W. Hinrichs, H. N. Chapman, A. .R. Pearson, C. Betzel, A. Meents
Science, eabf7945 (2021)
Journal Article
Spin-Wave Doppler Shift by Magnon Drag in Magnetic Insulators
T. Yu, C. Wang, M. A. Sentef, G. E. W. Bauer
Physical Review Letters 126 (13), 137202 (2021)
Journal Article
Engineering quantum materials with chiral optical cavities
Nature Materials 20 (4), 438–442 (2021)
Journal Article
Optical manipulation of domains in chiral topological superconductors
Physical Review Research 3 (1), 013253 (2021)
Journal Article
Higgs-Mediated Optical Amplification in a Nonequilibrium Superconductor
M. Buzzi, G. Jotzu, A. Cavalleri, J. I. Cirac, E. A. Demler, B. I. Halperin, M. D. Lukin, T. Shi, Y. Wang, D. Podolsky
Physical Review X 11 (1), 011055 (2021)
Journal Article
Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison
P. Mehrabi, R. Bücker, G. Bourenkov, H. Ginn, D. von Stetten, H. M. Mueller-Werkmeister, A. Kuo, T. Morizumi, B. Eger, W.-L. Ou, S. Oghbaey, A. Sarracini, J. Besaw, O. Paré-Labrosse, S. Meier, H. Schikora, F. Tellkamp, A. Marx, D. A. Sherrell, D. Axford, R. L. Owen, O. P. Ernst, E. F. Pai, E.-C. Schulz, R. J. D. Miller
Science Advances 7 (12), eabf1380 (2021)
Journal Article
Detection of photon statistics and multimode field correlations by Raman processes
F. Schlawin, K. E. Dorfman, S. Mukamel
The Journal of Chemical Physics 154 (10), 104116 (2021)
Journal Article
Time-Resolved Exciton Wave Functions from Time-Dependent Density-Functional Theory
J. R. Williams, N. Tancogne-Dejean, C. A. Ullrich
Journal of Chemical Theory and Computation 17 (3), 1795–1805 (2021)
Journal Article
Intermolecular interactions in optical cavities: An ab initio QED study
T. S. Haugland, C. Schäfer, E. Ronca, A. Rubio, H. Koch
The Journal of Chemical Physics 154 (9), 094113 (2021)
Journal Article
Enhanced tunable second harmonic generation from twistable interfaces and vertical superlattices in boron nitride homostructures
K. Yao, N. R. Finney, J. Zhang, S. L. Moore, L. D. Xian, N. Tancogne-Dejean, F. Liu, J. Ardelean, X. Xu, D. Halbertal, K. Watanabe, T. Taniguchi, H. Ochoa, A. Asenjo-Garcia, X. Zhu, D. N. Basov, A. Rubio, C. R. Dean, J. Hone, P. J. Schuck
Science Advances 7 (10), eabe8691 (2021)
Journal Article
Using Jupyter for Reproducible Scientific Workflows
M. Beg, J. Taka, T. Kluyver, A. Konovalov, M. Ragan-Kelley, N. Thiery, H. Fangohr
Computing in Science & Engineering 23 (2), 36–46 (2021)
Journal Article
Vibrational coherent control of localized d–d electronic excitation
A. Marciniak, S. Marcantoni, F. Giusti, F. Glerean, G. Sparapassi, T. F. Nova, A. Cartella, S. Latini, F. Valiera, A. Rubio, J. van den Brink, F. Benatti, D. Fausti
Nature Physics 17 (3), 368–373 (2021)
Journal Article
Hydrated Alkali Atoms on Copper(111): A Density Functional Theory Study
A. Pérez Paz, A. Rubio
The Journal of Physical Chemistry C 125 (7), 3868–3879 (2021)
Journal Article
Self-Consistent Potential Correction for Charged Periodic Systems
M. C. da Silva, M. Lorke, B. Aradi, M. Farzalipour Tabriz, T. Frauenheim, A. Rubio, D. Rocca, P. Deák
Physical Review Letters 126 (7), 076401 (2021)
Journal Article
Unravelling the intertwined atomic and bulk nature of localised excitons by attosecond spectroscopy
M. Lucchini, S. Sato, G. D. Lucarelli, B. Moio, G. Inzani, R. Borrego-Varillas, F. Frassetto, L. Poletto, H. Hübener, U. de Giovannini, A. Rubio, M. Nisoli
Nature Communications 12, 1021 (2021)
Journal Article
Higher-Order Band Topology in Twisted Moiré Superlattice
B. Liu, L. D. Xian, H. Mu, G. Zhao, Z. Liu, A. Rubio, Z. F. Wang
Physical Review Letters 126 (6), 066401 (2021)
Journal Article
Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL
C. König, V. Krewald, M. Roemelt, M. Rossi
International Journal of Quantum Chemistry 121 (3), e26587 (2021)
Journal Article
The conformational space of a flexible amino acid at metallic surfaces
D. Maksimov, C. Baldauf, M. Rossi
International Journal of Quantum Chemistry 121 (3), e26369 (2021)
Journal Article
Anomalous thickness dependence of Curie temperature in air-stable two-dimensional ferromagnetic 1T-CrTe2 grown by chemical vapor deposition
L. Meng, Z. Zhou, M. Xu, S. Yang, K. Si, L. Liu, X. Wang, H. Jiang, B. Li, P. Qin, P. Zhang, J. Wang, Z. Liu, P. Tang, Y. Ye, W. Zhou, L. Bao, H.-J. Gao, Y. Gong
Nature Communications 12 (1), 809 (2021)
Journal Article
Programmable hyperbolic polaritons in van der Waals semiconductors
A. J. Sternbach, S. H. Chae, S. Latini, A. A. Rikhter, Y. Shao, B. Li, D. Rhodes, B. Kim, P. J. Schuck, X. Xu, X.-Y. Zhu, R. D. Averitt, J. Hone, M. M. Fogler, A. Rubio, D. N. Basov
Science 371 (6529), 617–620 (2021)
Journal Article
Environmental Liquid Cell Technique for Improved Electron Microscopic Imaging of Soft Matter in Solution
S. Azim, L. Bultema, M. de Kock, E. R. Osorio-Blanco, M. Calderón, J. Gonschior, J.-P. Leimkohl, F. Tellkamp, R. Bücker, E.-C. Schulz, S. Keskin, N. de Jonge, G. Kassier, R. J. D. Miller
Microscopy and Microanalysis 27 (1), 44–53 (2021)
Journal Article
Hybrid CO2-Ti:sapphire laser with tunable pulse duration for mid-infrared-pump terahertz-probe spectroscopy
Optics Express 29 (3), 3575–3583 (2021)
Journal Article
Moiré heterostructures as a condensed-matter quantum simulator
D. M. Kennes, M. Claassen, L. D. Xian, A. Georges, A. J. Millis, J. Hone, C. R. Dean, D. N. Basov, A. N. Pasupathy, A. Rubio
Nature Physics 17 (2), 155–163 (2021)
Journal Article
Quantitative sampling of atomic-scale electromagnetic waveforms
D. Peller, C. Roelcke, L. Z. Kastner, T. Buchner, A. Neef, J. Hayes, F. Bonafé, D. Sidler, M. Ruggenthaler, A. Rubio, R. Huber, J. Repp
Nature Photonics 15 (2), 143–147 (2021)
Journal Article
Coherent control of collective nuclear quantum states via transient magnons
L. Bocklage, J. Gollwitzer, C. Strohm, C. F. Adolff, K. Schlage, I. Sergeev, O. Leupold, H.-C. Wille, G. Meier, R. Röhlsberger
Science Advances 7 (5), eabc3991 (2021)
Journal Article
Toward Confined Carbyne with Tailored Properties
L. Shi, R. Senga, K. Suenaga, H. Kataura, T. Saito, A. P. Paz, A. Rubio, P. Ayala, T. Pichler
Nano Letters 21 (2), 1096–1101 (2021)
Journal Article
Moiréless correlations in ABCA graphene
A. Kerelsky, C. Rubio-Verdú, L. D. Xian, D. M. Kennes, D. Halbertal, N. Finney, L. Song, S. Turkel, L. Wang, K. Watanabe, T. Taniguchi, J. Hone, C. Dean, D. Basov, A. Rubio, A. N. Pasupathy
Proceedings of the National Academy of Sciences of the United States of America 118 (4), e2017366118 (2021)
Journal Article
The 2021 quantum materials roadmap
F. Giustino, M. Bibes, J. H. Lee, F. Trier, R. Valentí, S. M. Winter, Y.-W. Son, L. Taillefer, C. Heil, A. I. Figueroa, B. Plaçais, Q. Wu, O. V. Yazyev, E. P. A. M. Bakkers, J. Nygård, P. Forn-Diaz, S. de Franceschi, L. E. F. Foa Torres, J. W. McIver, A. Kumar, T. Low, R. Galceran, S. Valenzuela, M. V. Costache, A. Manchon, E.-A. Kim, G. R. Schleder, A. Fazzio, S. Roche
JPhys Materials 3 (4), 042006 (2021)
Journal Article
Spin-fluctuation-induced pairing in twisted bilayer graphene
A. Fischer, L. Klebl, C. Honerkamp, D. M. Kennes
Physical Review B 103 (4), L041103 (2021)
Journal Article
Quadrupole spin polarization as signature of second-order topological superconductors
K. Plekhanov, N. Müller, Y. Volpez, D. M. Kennes, H. Schoeller, D. Loss, J. Klinovaja
Physical Review B 103 (4), L041401 (2021)
Journal Article
High-order harmonic generation in graphene: Nonlinear coupling of intraband and interband transitions
S. Sato, H. Hirori, Y. Sanari, Y. Kanemitsu, A. Rubio
Physical Review B 103 (4), L041408 (2021)
Journal Article
Analytical solution for the steady states of the driven Hubbard model
J. Tindall, F. Schlawin, M. A. Sentef, D. Jaksch
Physical Review B 103 (3), 035146 (2021)
Journal Article
Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111)
K. Fidanyan, I. Hamada, M. Rossi
Advanced Theory and Simulations, 2000241 (2021)
Journal Article
Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties
The Journal of Physical Chemistry Letters 12 (1), 508–516 (2021)
Journal Article
An encryption-decryption framework for validating single-particle imaging
Z. Shen, C. Z. W. Teo, K. Ayyer, N. D. Loh
Scientific Reports 11, 971 (2021)
Journal Article
Moiré metrology of energy landscapes in van der Waals heterostructures
D. Halbertal, N. R. Finney, S. S. Sunku, A. Kerelsky, C. Rubio-Verdú, S. Shabani, L. D. Xian, S. Carr, S. Chen, C. Zhang, L. Wang, D. Gonzalez-Acevedo, A. S. McLeod, D. Rhodes, K. Watanabe, T. Taniguchi, E. Kaxiras, C. R. Dean, J. C. Hone, A. N. Pasupathy, D. M. Kennes, A. Rubio, D. N. Basov
Nature Communications 12, 242 (2021)
Journal Article
High Harmonics and Isolated Attosecond Pulses from MgO
Physical Review Applied 15 (1), 014013 (2021)
Journal Article
Universality of Boundary Charge Fluctuations
C. S. Weber, K. Piasotski, M. Pletyukhov, J. Klinovaja, D. Loss, H. Schoeller, D. M. Kennes
Physical Review Letters 126 (1), 016803 (2021)
Journal Article
3D diffractive imaging of nanoparticle ensembles using an x-ray laser
K. Ayyer, P. L. Xavier, J. Bielecki, Z. Shen, B. J. Daurer, A. K. Samanta, S. Awel, R. Bean, A. Barty, T. Ekeberg, A. D. Estillore, H. Fangohr, K. Giewekemeyer, M. S. Hunter, M. Karnevskiy, R. A. Kirian, H. Kirkwood, Y. Kim, J. Koliyadu, H. Lange, R. Letrun, J. Lübke, T. Michelat, A. J. Morgan, N. Roth, T. Sato, M. Sikorski, F. Schulz, J. C. H. Spence, P. Vagovic, T. Wollweber, L. Worbs, O. Yefanov, Y. Zhuang, F. R. N. C. Maia, D. A. Horke, J. Küpper, N. D. Loh, A. P. Mancuso, H. N. Chapman
Optica 8 (1), 15–23 (2021)
Journal Article
Polariton panorama
D. N. Basov, A. Asenjo-Garcia, P. J. Schuck, X. Zhu, A. Rubio
Nanophotonics 10 (1), 549–577 (2021)
Journal Article
Evidence for metastable photo-induced superconductivity in K3C60
M. Budden, T. Gebert, M. Buzzi, G. Jotzu, E. Wang, T. Matsuyama, G. Meier, Y. Laplace, D. Pontiroli, M. Riccò, F. Schlawin, D. Jaksch, A. Cavalleri
Nature Physics (2021)
Journal Article
Clocking Auger electrons
D. Haynes, M. Wurzer, A. Schletter, A. Al-Haddad, C. Blaga, C. Bostedt, J. Bozek, M. Bucher, A. Camper, S. Carron, R. Coffee, J. T. Costello, L. F. DiMauro, Y. Ding, K. Ferguson, I. Grguraš, W. Helml, M. C. Hoffmann, M. Ilchen, S. Jalas, N. M. Kabachnik, A. K. Kazansky, R. Kienberger, A. R. Maier, T. Maxwell, T. Mazza, M. Meyer, H. Park, J. S. Robinson, C. Roedig, H. Schlarb, R. Singla, F. Tellkamp, K. Zhang, G. Doumy, C. Behrens, A. L. Cavalieri
Nature Physics (2021)
Journal Article
Nonreciprocal coherent coupling of nanomagnets by exchange spin waves
H. Wang, J. Chen, T. Yu, C. Liu, C. Guo, H. Jia, S. Liu, K. Shen, H. Jia, T. Liu, J. Zhang, M. A. Cabero Z, Q. Song, S. Tu, M. Wu, X. Han, K. Xia, D. Yu, G. E. W. Bauer, H. Yu
Nano Research 69 (2021)
2020
Journal Article
Floquet dynamics in light-driven solids
M. Nuske, L. Broers, B. Schulte, G. Jotzu, S. Sato, A. Cavalleri, A. Rubio, J. W. McIver, L. Mathey
Physical Review Research 2 (4), 043408 (2020)
Journal Article
Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers
A. Gorel, M. L. Grünbein, R. Bean, J. Bielecki, M. Hilpert, M. Cascella, J.-P. Colletier, H. Fangohr, L. Foucar, E. Hartmann, M. S. Hunter, H. Kirkwood, M. Kloos, R. Letrun, T. Michelat, R. L. Shoeman, J. Sztuk-Dambietz, G. Tetreau, H. Zimmermann, A. P. Mancuso, T. R. M. Barends, R. B. Doak, C. A. Stan, I. Schlichting
Crystals 10 (12), 1145 (2020)
Journal Article
Second-order functional renormalization group approach to quantum wires out of equilibrium
C. Klöckner, D. M. Kennes, C. Karrasch
Physical Review B 102 (23), 235113 (2020)
Journal Article
Electrical and network properties of flexible silver-nanowire composite electrodes under mechanical strain
T. E. Glier, M. Betker, M. Witte, T. Matsuyama, L. Westphal, B. Grimm-Lebsanft, F. Biebl, L. O. Akinsinde, F. Fischer, M. Rübhausen
Nanoscale 12 (46), 23831–23837 (2020)
Journal Article
Charge-Transfer Plasmon Polaritons at Graphene/α-RuCl3Interfaces
D. J. Rizzo, B. S. Jessen, Z. Sun, F. L. Ruta, J. Zhang, J.-Q. Yan, L. D. Xian, A. S. McLeod, M. E. Berkowitz, K. Watanabe, T. Taniguchi, S. E. Nagler, D. G. Mandrus, A. Rubio, M. M. Fogler, A. J. Millis, J. C. Hone, C. R. Dean, D. N. Basov
Nano Letters 20 (12), 8438–8445 (2020)
Journal Article
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
T. S. Haugland, E. Ronca, E. F. Kjønstad, A. Rubio, H. Koch
Physical Review X 10 (4), 041043 (2020)
Journal Article
Serial synchrotron crystallography for time-resolved structural biology
A. R. Pearson, P. Mehrabi
Current Opinion in Structural Biology 65, 168–174 (2020)
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