MPSD Publications

MPSD Publications

Journal Article (923)

2021
Journal Article
Impact of partially bosonized collective fluctuations on electronic degrees of freedom
V. Harkov, M. Vandelli, S. Brener, A. I. Lichtenstein, E. A. Stepanov
Physical Review B 103 (24), 245123 (2021)
Journal Article
Strong boundary and trap potential effects on emergent physics in ultra-cold fermionic gases
J. B. Hauck, C. Honerkamp, D. M. Kennes
New Journal of Physics 23 (6), 063015 (2021)
Journal Article
Direct measurement of key exciton properties: Energy, dynamics, and spatial distribution of the wave function
S. Dong, M. Puppin, T. Pincelli, S. Beaulieu, D. Christiansen, H. Hübener, C. W. Nicholson, R. P. Xian, M. Dendzik, Y. Deng, Y. W. Windsor, M. Selig, E. Malic, A. Rubio, A. Knorr, M. Wolf, L. Rettig, R. Ernstorfer
Natural Sciences, e10010 (2021)
Journal Article
Phonoritons as Hybridized Exciton-Photon-Phonon Excitations in a Monolayer h-BN Optical Cavity
Physical Review Letters 126 (22), 227401 (2021)
Journal Article
Laser-induced transient magnons in Sr3Ir2O7 throughout the Brillouin zone
D. G. Mazzone, D. Meyers, Y. Cao, J. G. Vale, C. D. Dashwood, Y. Shi, A. J. A. James, N. J. Robinson, J. Lin, V. Thampy, Y. Tanaka, A. S. Johnson, H. Miao, R. Wang, T. A. Assefa, J. Kim, D. Casa, R. Mankowsky, D. Zhu, R. Alonso-Mori, S. Song, H. Yavas, T. Katayama, M. Yabashi, Y. Kubota, S. Owada, J. Liu, J. Yang, R. M. Konik, I. K. Robinson, J. P. Hill, D. F. McMorrow, M. Först, S. Wall, X. Liu, M. P. M. Dean
Proceedings of the National Academy of Sciences of the United States of America 118 (22), e2103696118 (2021)
Journal Article
Electric Field Tunable Ultrafast Interlayer Charge Transfer in Graphene/WS2 Heterostructure
Y. Liu, J. Zhang, S. Meng, C. Yam, T. Frauenheim
Nano Letters 21 (10), 4403–4409 (2021)
Journal Article
Real-time observation of a correlation-driven sub 3 fs charge migration in ionised adenine
E. P. Mansson, S. Latini, F. Covito, V. Wanie, M. Galli, E. Perfetto, G. Stefanucci, H. Hübener, U. de Giovannini, M. C. Castrovilli, A. Trabattoni, F. Frassetto, L. Poletto, J. B. Greenwood, F. Legare, M. Nisoli, A. Rubio, F. Calegari
Communications Chemistry 4, 73 (2021)
Journal Article
Serial Electron Diffraction Data Processing With diffractem and CrystFEL
R. Bücker, P. Hogan-Lamarre, R. J. D. Miller
Frontiers in Molecular Biosciences 8, 624264 (2021)
Journal Article
A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip
B. Norton-Baker, P. Mehrabi, J. Boger, R. Schönherr, D. von Stetten, H. Schikora, A. O. Kwok, R. W. Martin, R. J. D. Miller, L. Redecke, E.-C. Schulz
Acta Crystallographica Section D: Structural Biology 77 (6), D77 (2021)
Journal Article
Enhanced extreme ultraviolet high-harmonic generation from chromium-doped magnesium oxide
V. E. Nefedova, S. Fröhlich, F. Navarrete, N. Tancogne-Dejean, D. Franz, A. Hamdou, S. Kaassamani, D. Gauthier, R. Nicolas, G. Jargot, M. Hanna, P. Georges, M. F. Ciappina, U. Thumm, W. Boutu, H. Merdji
Applied Physics Letters 118 (20), 201103 (2021)
Journal Article
Two-dimensional intrinsic ferromagnetic monolayer transition metal oxyhydroxide
H. Chen, P. Tang, J. Li
Physical Review B 103 (19), 195402 (2021)
Journal Article
Quantitative analysis of interaction effects in generalized Aubry-André-Harper models
Y.-T. Lin, C. S. Weber, D. M. Kennes, M. Pletyukhov, H. Schoeller, V. Meden
Physical Review B 103 (19), 195119 (2021)
Journal Article
Identification of the Mott Insulating Charge Density Wave State in 1T−TaS2
D. Shin, N. Tancogne-Dejean, J. Zhang, M. S. Okyay, A. Rubio, N. Park
Physical Review Letters 126 (19), 196406 (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 372 (6542), 642–646 (2021)
Journal Article
Progress and challenges in ab initio simulations of quantum nuclei in weakly bonded systems
The Journal of Chemical Physics 154 (17), 170902 (2021)
Journal Article
The 2021 Ultrafast Spectroscopic Probes of Condensed Matter Roadmap
J. Lloyd-Hughes, P. Oppeneer, T. Pereira dos Santos, A. Schleife, S. Meng, M. A. Sentef, M. Ruggenthaler, A. Rubio, I. Radu, M. Murnane, X. Shi, H. Kapteyn, B. Stadtmüller, K. M. Dani, F. da Jornada, E. Prinz, M. Aeschlimann, R. Milot, M. Burdanova, J. Boland, T. L. Cocker, F. A. Hegmann
Journal of Physics: Condensed Matter (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 17 (5), 611–618 (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 17 (5), 611–618 (2021)
Journal Article
Identifying weak values with intrinsic dynamical properties in modal theories
D. Pandey, R. Sampaio, T. Ala-Nissila, G. Albareda Piquer, X. Oriols
Physical Review A 103 (5), 052219 (2021)
Journal Article
Ultrafast Charge Separation in Bilayer WS2/Graphene Heterostructure Revealed by Time- and Angle-Resolved Photoemission Spectroscopy
R. Krause, M. Chavez Cervantes, S. Aeschlimann, S. Forti, F. Fabbri, A. Rossi, C. Coletti, C. Cacho, Y. Zhang, P. E. Majchrzak, R. T. Chapman, E. Springate, I. Gierz
Frontiers in Physics 9, 668149 (2021)
Journal Article
Ultrafast dynamical Lifshitz transition
S. Beaulieu, S. Dong, N. Tancogne-Dejean, M. Dendzik, T. Pincelli, J. Maklar, R. P. Xian, M. A. Sentef, M. Wolf, A. Rubio, L. Rettig, R. Ernstorfer
Science Advances 7 (17), eabd9275 (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
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 17 (4), 512–518 (2021)
Journal Article
Engineering quantum materials with chiral optical cavities
Nature Materials 20 (4), 438–442 (2021)
Journal Article
Simulating Vibronic Spectra without Born–Oppenheimer Surfaces
The Journal of Physical Chemistry Letters 12 (12), 3074–3081 (2021)
Journal Article
Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics
M. A. C. Saller, A. Kelly, E. Geva
The Journal of Physical Chemistry Letters 12 (12), 3163–3170 (2021)
Journal Article
Scattering in Terms of Bohmian Conditional Wave Functions for Scenarios with Non-Commuting Energy and Momentum Operators
M. Villani, G. Albareda Piquer, C. Destefani, X. Cartoixà, X. Oriols
Entropy 23 (4), 408 (2021)
Journal Article
Mid infrared polarization engineering via sub-wavelength biaxial hyperbolic van der Waals crystals
S. Dixit, N. R. Sahoo, A. Mall, A. Kumar
Scientific Reports 11, 6612 (2021)
Journal Article
Optical manipulation of domains in chiral topological superconductors
Physical Review Research 3 (1), 013253 (2021)
Journal Article
Variable Repetition Rate THz Source for Ultrafast Scanning Tunneling Microscopy
M. Abdo, S. Sheng, S. Rolf-Pissarczyk, L. Arnhold, J. A. J. Burgess, M. Isobe, L. Malavolti, S. Loth
ACS Photonics 8 (3), 702–708 (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
Jupyter in Computational Science
H. Fangohr, T. Kluyver, M. DiPierro
Computing in Science & Engineering 23 (2), 5–6 (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
Single and double charge transfer in the Ne2+ + He collision within time-dependent density-functional theory
W. Yu, C.-Z. Gao, S. Sato, A. Castro, A. Rubio, B. Wei
Physical Review A 103 (3), 032816 (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)
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