Max Planck Institute for the Structure and Dynamics of Matter

MPSD Publications

MPSD Publications

Journal Article (789)

2020

Journal Article

Photomolecular High-Temperature Superconductivity

M. Buzzi, D. Nicoletti, M. Fechner, N. Tancogne-Dejean, M. A. Sentef, A. Georges, T. Biesner, E. Uykur, M. Dressel, A. Henderson, T. Siegrist, J. A. Schlueter, K. Miyagawa, K. Kanoda, M.-S. Nam, A. Ardavan, J. Coulthard, J. Tindall, F. Schlawin, D. Jaksch, A. Cavalleri

Physical Review X 10 (3), 031028 (2020)

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Journal Article

Correlated electronic phases in twisted bilayer transition metal dichalcogenides

L. Wang, E.-M. Shih, A. Ghiotto, L. D. Xian, D. A. Rhodes, C. Tan, M. Claassen, D. M. Kennes, Y. Bai, B. Kim, K. Watanabe, T. Taniguchi, X. Zhu, J. Hone, A. Rubio, A. Pasupathy, C. R. Dean

Nature Materials 19 (8), 861–866 (2020)

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Journal Article

Photoinduced Electron Pairing in a Driven Cavity

H. Gao, F. Schlawin, M. Buzzi, A. Cavalleri, D. Jaksch

Physical Review Letters 125 (5), 053602 (2020)

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Journal Article

Light-matter hybrid-orbital-based first-principles methods: the influence of the polariton statistics

F. Buchholz, I. Theophilou, K. J. H. Giesbertz, M. Ruggenthaler, A. Rubio

Journal of Chemical Theory and Computation xxxx (xxx), xxx-xxx (2020)

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Femtosecond exciton dynamics in WSe₂ optical waveguides

A. J. Sternbach, S. Latini, S. Chae, H. Hübener, U. de Giovannini, Y. Shao, L. Xiong, Z. Sun, N. Shi, P. Kissin, G.-X. Ni, D. Rhodes, B. Kim, N. Yu, A. J. Millis, M. M. Fogler, P. J. Schuck, M. Lipson, X.-Y. Zhu, J. Hone, R. D. Averitt, A. Rubio, D. N. Basov

Nature Communications 11 (1), 3567 (2020)

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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)

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Journal Article

The CECAM electronic structure library and the modular software development paradigm

M. J. T. Oliveira, N. Papior, Y. Pouillon, V. Blum, E. Artacho, D. Caliste, F. Corsetti, S. de Gironcoli, A. M. Elena, A. García, V. M. García-Suárez, L. Genovese, W. P. Huhn, G. Huhs, S. Kokott, E. Küçükbenli, A. H. Larsen, A. Lazzaro, I. V. Lebedeva, Y. Li, D. López-Durán, P. López-Tarifa, M. Lüders, M.- A. L. Marques, J. Minar, S. Mohr, A. A. Mostofi, A. O'Cais, M. C. Payne, T. Ruh, D. G. A. Smith, J. M. Soler, D. A. Strubbe, N. Tancogne-Dejean, D. Tildesley, M. Torrent, V. W.-z. Yu

The Journal of Chemical Physics 153 (2), 024117 (2020)

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Room Temperature Terahertz Electroabsorption Modulation by Excitons in Monolayer Transition Metal Dichalcogenides

J. Shi, E. Baldini, S. Latini, S. Sato, Y. Zhang, B. C. Pein, P.-C. Shen, J. Kong, A. Rubio, N. Gedik, K. A. Nelson

Nano Letters 20 (7), 5214–5220 (2020)

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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)

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Journal Article

[News & Views:] Atomic forces mapped out by lasers

Nature 583 (7814), 35–36 (2020)

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Probing photoinduced rearrangements in the NdNiO₃ magnetic spiral with polarization-sensitive ultrafast resonant soft x-ray scattering

K. R. Beyerlein, A. Disa, M. Först, M. Henstridge, T. Gebert, T. Forrest, A. Fitzpatrick, C. Dominguez, J. Fowlie, M. Gibert, J.-M. Triscone, S. S. Dhesi, A. Cavalleri

Physical Review B 102 (1), 014311 (2020)

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An adaptive design approach for defects distribution modeling in materials from first-principle calculations

M. P. Lourenço, A. d. S. Anastácio, A. L. Rosa, T. Frauenheim, M. C. da Silva

Journal of Molecular Modeling 26 (7), 187 (2020)

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Journal Article

Quantum walk versus classical wave: Distinguishing ground states of quantum magnets by spacetime dynamics

P. Wrzosek, K. Wohlfeld, D. Hofmann, T. Sowiński, M. A. Sentef

Physical Review B 102 (2), 024440 (2020)

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Journal Article

Human γS-Crystallin–Copper Binding Helps Buffer against Aggregation Caused by Oxidative Damage

K. W. Roskamp, S. Azim, G. Kassier, B. Norton-Baker, M. A. Sprague-Piercy, R. J. D. Miller, R. W. Martin

Biochemistry 59 (25), 2371–2385 (2020)

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Journal Article

Transient Raman Snapshots of the Twisted Intramolecular Charge Transfer State in a Stilbazolium Dye

S. Karmakar, A. Ambastha, A. Jha, A. Dharmadhikari, J. Dharmadhikari, R. Venkatramani, J. Dasgupta

The Journal of Physical Chemistry Letters 11 (12), 4842–4848 (2020)

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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)

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Journal Article

Parallel time-dependent variational principle algorithm for matrix product states

P. Secular, N. Gourianov, M. Lubasch, S. Dolgov, S. R. Clark, D. Jaksch

Physical Review B 101 (23), 235123 (2020)

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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)

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Journal Article

Minimally invasive spin sensing with scanning tunneling microscopy

L. Malavolti, G. McMurtrie, S. Rolf-Pissarczyk, S. Yan, J. A. J. Burgess, S. Loth

Nanoscale 12 (21), 11619–11626 (2020)

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Journal Article

Megahertz single-particle imaging at the European XFEL

E. Sobolev, S. Zolotarev, K. Giewekemeyer, J. Bielecki, K. Okamoto, H. K. N. Reddy, J. Andreasson, K. Ayyer, I. Barak, S. Bari, A. Barty, R. Bean, S. Bobkov, H. N. Chapman, G. Chojnowski, B. J. Daurer, K. Dörner, T. Ekeberg, L. Flückiger, O. Galzitskaya, L. Gelisio, S. Hauf, B. G. Hogue, D. A. Horke, A. Hosseinizadeh, V. Ilyin, C. Jung, C. Kim, Y. Kim, R. A. Kirian, H. Kirkwood, O. Kulyk, J. Küpper, R. Letrun, N. D. Loh, K. Lorenzen, M. Messerschmidt, K. Mühlig, A. Ourmazd, N. Raab, A. V. Rode, M. Rose, A. Round, T. Sato, R. Schubert, P. Schwander, J. A. Sellberg, M. Sikorski, A. Silenzi, C. Song, J. C. H. Spence, S. Stern, J. Sztuk-Dambietz, A. Teslyuk, N. Timneanu, M. Trebbin, C. Uetrecht, B. Weinhausen, G. J. Williams, P. L. Xavier, C. Xu, I. A. Vartanyants, V. S. Lamzin, A. Mancuso, F. R. N. C. Maia

Communications Physics 3 (1), 97 (2020)

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Journal Article

Reference-enhanced x-ray single-particle imaging

Optica 7 (6), 593–601 (2020)

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Journal Article

[Viewpoint:] Postponing Heat Death in Periodically Driven Systems

Physics 13, 86 (2020)

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Journal Article

Excited-State Vibronic Dynamics of Bacteriorhodopsin from Two-Dimensional Electronic Photon Echo Spectroscopy and Multiconfigurational Quantum Chemistry

S. Gozem, P. J. M. Johnson, A. Halpin, H. L. Luk, T. Morizumi, V. Prokhorenko, O. P. Ernst, M. Olivucci, R. J. D. Miller

The Journal of Physical Chemistry Letters 11 (10), 3889–3896 (2020)

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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)

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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)

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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)

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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)

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Journal Article

Direct evidence for efficient ultrafast charge separation in epitaxial WS₂/graphene heterostructures

S. Aeschlimann, A. Rossi, M. Chavez Cervantes, R. Krause, B. Arnoldi, B. Stadtmüller, M. Aeschlimann, S. Forti, F. Fabbri, C. Coletti, I. Gierz

Science Advances 6 (20), eaay0761 (2020)

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Journal Article

Effect of Alkyl Side Chain Length on Intra- and Intermolecular Interactions of Terthiophene–Isoindigo Copolymers

N. A. Tegegne, Z. Abdissa, W. Mammo, T. Uchiyama, Y. Okada-Shudo, F. Galeotti, W. Porzio, M. R. Andersson, D. Schlettwein, V. Vohra, H. Schwoerer

Journal of Physical Chemistry C 124 (18), 9644–9655 (2020)

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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)

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Journal Article

Intramolecular vibrations enhance the quantum efficiency of excitonic energy transfer

H.-G. Duan, P. Nalbach, R. J. D. Miller, M. Thorwart

Photosynthesis Research 144 (2), 137–145 (2020)

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Journal Article

Unique continuation for the magnetic Schrödinger equation

A. Laestadius, M. Benedicks, M. Penz

International Journal of Quantum Chemistry 120 (8), e26149 (2020)

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Journal Article

Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics

C. Schäfer, M. Ruggenthaler, V. Rokaj, A. Rubio

ACS Photonics 7 (4), 975–990 (2020)

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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)

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Journal Article

Compact Ho:YLF-pumped ZnGeP₂-based optical parametric amplifiers tunable in the molecular fingerprint regime

S. Cheng, G. Chatterjee, F. Tellkamp, T. Lang, A. Ruehl, I. Hartl, R. J. D. Miller

Optics Letters 45 (8), 2255–2258 (2020)

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Quantum biology revisited

J. Cao, R. J. Cogdell, D. F. Coker, H.-G. Duan, J. Hauer, U. Kleinekathöfer, T. L. C. Jansen, T. Mančal, R. J. D. Miller, J. P. Ogilvie, V. Prokhorenko, T. Renger, H.-S. Tan, R. Tempelaar, M. Thorwart, E. Thyrhaug, S. Westenhoff, D. Zigmantas

Science Advances 6 (14), eaaz4888 (2020)

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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)

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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)

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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)

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Journal Article

Direct observation of nuclear reorganization driven by ultrafast spin transitions

Y. Jiang, L. C. Liu, A. Sarracini, K. M. Krawczyk, J. S. Wentzell, C. Lu, E. L. Field, S. F. Matar, W. Gawelda, H. M. Müller-Werkmeister, R. J. D. Miller

Nature Communications 11 (1), 1530 (2020)

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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)

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Journal Article

Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin in the multiphoton regime and biological relevance

R. J. D. Miller, O. Paré-Labrosse, A. Sarracini, J. E. Besaw

Nature Communications 11 (1), 1240 (2020)

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Pump Frequency Resonances for Light-Induced Incipient Superconductivity in YBa₂Cu₃O_6.5

B. Liu, M. Först, M. Fechner, D. Nicoletti, J. Porras, T. Loew, B. Keimer, A. Cavalleri

Physical Review X 10 (1), 011053 (2020)

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Controllable finite-momenta dynamical quasicondensation in the periodically driven one-dimensional Fermi-Hubbard model

M. W. Cook, S. R. Clark

Physical Review A 101 (3), 033604 (2020)

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High-Resolution Crystal Truncation Rod Scattering: Application to Ultrathin Layers and Buried Interfaces

A. Disa, F. J. Walker, C. H. Ahn

Advanced Materials Interfaces 7 (6), 1901772 (2020)

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The HARE chip for efficient time-resolved serial synchrotron crystallography

P. Mehrabi, H. Müller-Werkmeister, J.-P. Leimkohl, H. Schikora, J. Ninkovic, S. Krivokuca, L. Andriček, S. W. Epp, D. Sherrell, R. L. Owen, A. R. Pearson, F. Tellkamp, E.-C. Schulz, R. J. D. Miller

Journal of Synchrotron Radiation; Wiley-Blackwell on Behalf of the IUCr 27 (2), 360–370 (2020)

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Mass Spectrometric Lipid Profiles of Picosecond Infrared Laser‐Generated Tissue Aerosols Discriminate Different Brain Tissues

M. Wurlitzer, E. Hessling, K. Rinas, M. M. Fuh, H. Petersen, F. Ricklefs, K. Lamszus, J. Regelsberger, S. Maier, S. Kruber, N.-O. Hansen, R. J. D. Miller, H. Schlüter

Lasers in Surgery and Medicine 52 (3), 228–234 (2020)

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One-dimensional flat bands in twisted bilayer germanium selenide

D. M. Kennes, L. D. Xian, M. Claassen, A. Rubio

Nature Communications 11 (1), 1124 (2020)

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Journal Article

Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials

M. Schüler, U. de Giovannini, H. Hübener, A. Rubio, M. A. Sentef, P. Werner

Science Advances 6 (9), eaay2730 (2020)

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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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