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)
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)
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)
Journal Article
Light-matter hybrid-orbital-based first-principles methods: the influence of the polariton statistics
Journal of Chemical Theory and Computation xxxx (xxx), xxx-xxx (2020)
Journal Article
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)
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)
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)
Journal Article
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)
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)
Journal Article
[News & Views:] Atomic forces mapped out by lasers
Nature 583 (7814), 35–36 (2020)
Journal Article
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)
Journal Article
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)
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)
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)
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)
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)
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)
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)
Journal Article
Minimally invasive spin sensing with scanning tunneling microscopy
Nanoscale 12 (21), 11619–11626 (2020)
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)
Journal Article
Reference-enhanced x-ray single-particle imaging
Optica 7 (6), 593–601 (2020)
Journal Article
[Viewpoint:] Postponing Heat Death in Periodically Driven Systems
Physics 13, 86 (2020)
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)
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)
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)
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)
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)
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)
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)
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)
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)
Journal Article
Unique continuation for the magnetic Schrödinger equation
A. Laestadius, M. Benedicks, M. Penz
International Journal of Quantum Chemistry 120 (8), e26149 (2020)
Journal Article
Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
ACS Photonics 7 (4), 975–990 (2020)
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)
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
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)
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)
Journal Article
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)
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)
Journal Article
Pump Frequency Resonances for Light-Induced Incipient Superconductivity in YBa2Cu3O6.5
B. Liu, M. Först, M. Fechner, D. Nicoletti, J. Porras, T. Loew, B. Keimer, A. Cavalleri
Physical Review X 10 (1), 011053 (2020)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
One-dimensional flat bands in twisted bilayer germanium selenide
Nature Communications 11 (1), 1124 (2020)
Journal Article
Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials
Science Advances 6 (9), eaay2730 (2020)
Journal Article
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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