Max Planck Institute for the Structure and Dynamics of Matter

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)

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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)

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Journal Article

Engineering quantum materials with chiral optical cavities

H. Hübener, U. de Giovannini, C. Schäfer, J. Andberger, M. Ruggenthaler, J. Faist, A. Rubio

Nature Materials 20 (4), 438–442 (2021)

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Journal Article

Optical manipulation of domains in chiral topological superconductors

T. Yu, M. Claassen, D. M. Kennes, M. A. Sentef

Physical Review Research 3 (1), 013253 (2021)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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Journal Article

Hybrid CO₂-Ti:sapphire laser with tunable pulse duration for mid-infrared-pump terahertz-probe spectroscopy

M. Budden, T. Gebert, A. Cavalleri

Optics Express 29 (3), 3575–3583 (2021)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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Journal Article

Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties

D. Sidler, C. Schäfer, M. Ruggenthaler, A. Rubio

The Journal of Physical Chemistry Letters 12 (1), 508–516 (2021)

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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)

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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)

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Journal Article

High Harmonics and Isolated Attosecond Pulses from MgO

Z. Nourbakhsh, N. Tancogne-Dejean, H. Merdji, A. Rubio

Physical Review Applied 15 (1), 014013 (2021)

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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)

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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)

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Journal Article

Polariton panorama

D. N. Basov, A. Asenjo-Garcia, P. J. Schuck, X. Zhu, A. Rubio

Nanophotonics 10 (1), 549–577 (2021)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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)

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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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