Journal Article (131)

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)
Journal Article
Serial protein crystallography in an electron microscope
R. Bücker, P. Hogan-Lamarre, P. Mehrabi, E.-C. Schulz, L. Bultema, Y. Gevorkov, W. Brehm, O. Yefanov, D. Oberthür, G. Kassier, R. J. D. Miller
Nature Communications 11 (1), 996 (2020)
Journal Article
Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals
F. H. da Jornada, L. D. Xian, A. Rubio, S. G. Louie
Nature Communications 11 (1), 1013 (2020)
Journal Article
Mapping Atomic Motions with Electrons: Toward the Quantum Limit to Imaging Chemistry
Z. Li, S. Gyawali, A. A. Ischenko, S. A. Hayes, R. J. D. Miller
ACS Photonics 7 (2), 296–320 (2020)
Journal Article
Attosecond timing of the dynamical Franz–Keldysh effect
M. Lucchini, S. Sato, F. Schlaepfer, K. Yabana, L. Gallmann, A. Rubio, U. Keller
Journal of Physics: Photonics 2 (2), 025001 (2020)
Journal Article
Loschmidt-amplitude wave function spectroscopy and the physics of dynamically driven phase transitions
D. M. Kennes, C. Karrasch, A. J. Millis
Physical Review B 101 (8), 081106 (2020)
Journal Article
Observation of a Charge-Neutral Muon-Polaron Complex in Antiferromagnetic Cr2O3
M. H. Dehn, J. K. Shenton, S. Holenstein, Q. N. Meier, D. J. Arseneau, D. L. Cortie, B. Hitti, A. C. Y. Fang, W. A. MacFarlane, R. M. L. McFadden, G. D. Morris, Z. Salman, H. Luetkens, N. A. Spaldin, M. Fechner, R. F. Kiefl
Physical Review X 10 (1), 011036 (2020)
Journal Article
Time-Dependent Magnons from First Principles
Journal of Chemical Theory and Computation 16 (2), 1007–1017 (2020)
Journal Article
All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals
C. Liu, J. Kloppenburg, Y. Yao, X. Ren, H. Appel, Y. Kanai, V. Blum
The Journal of Chemical Physics 152 (4), 044105 (2020)
Journal Article
High-harmonic generation from spin-polarised defects in solids
M. S. Mrudul, N. Tancogne-Dejean, A. Rubio, G. Dixit
Npj Computational Materials 6 (1), 10 (2020)
Journal Article
Nonadiabatic Electron Dynamics in Tunneling Junctions: Lattice Exchange-Correlation Potential
Journal of Chemical Theory and Computation 16 (1), 295–301 (2020)
Journal Article
Mixed 4f population of Tm adatoms on insulating Cu2N islands
D. Coffey, C. de la Fuente, M. Ciria, D. Serrate, S. Loth, J. I. Arnaudas
Physical Chemistry Chemical Physics 22 (1), 196–202 (2020)
Journal Article
Floquet analysis of excitations in materials
JPhys Materials 3 (1), 012001 (2020)
Journal Article
Entanglement and spectra in topological many-body localized phases
K. S. C. Decker, D. M. Kennes, J. Eisert, C. Karrasch
Physical Review B 101 (1), 014208 (2020)
Journal Article
Dissociation and localization dynamics of charge transfer excitons at a donor-acceptor interface
Chemical Physics 528, 110525 (2020)
Journal Article
Mapping the age of ice of Gauligletscher combining surface radionuclide contamination and ice flow modeling
G. Jouvet, S. Röllin, H. Sahli, J. Corcho, L. Gnägi, L. Compagno, D. Sidler, M. Schwikowski, A. Bauder, M. Funk
The Cryosphere 14 (11), 4233–4251 (2020)
Journal Article
Light-induced anomalous Hall effect in graphene
Nature Physics 16 (1), 38–41 (2020)
Journal Article
Light-induced anomalous Hall effect in graphene
J. W. McIver, B. Schulte, F.-U. Stein, T. Matsuyama, G. Jotzu, G. Meier, A. Cavalleri
Nature Physics 16 (1), 38–41 (2020)
Journal Article
Exact exchange-correlation potential of effectively interacting Kohn-Sham systems
Physical Review A 101 (1), 012510 (2020)

Book Chapter (2)

2020
Book Chapter
Present status and development of X-ray Free-Electron Laser facilities
In: J. Hastings, editor. Physics of and Science with X-Ray Free-Electron Lasers, Amsterdam: IOS Press; 2020
Book Chapter
Application of multifactor models for forecasting of PSA (phtalic anhydrid) emissions in airplanes
E. König, A. V. Osadchuk, I. A. Osadchuk
Wissenschaft für den modernen menschen: technik und technologie, informatik, sicherheit, SWorld; 2020, p. 135–150

Thesis - PhD (14)

2020
Thesis - PhD
High-resolution broadband rotational spectroscopy and electrical discharge experiments of astrochemically relevant molecules
Universität Hamburg, 2020
Thesis - PhD
Development and characterization of a LaB6 based high brightness field emission electron source
Universität Hamburg, 2020
Thesis - PhD
An efficient ab-initio non-equilibrium Green's function approach to carrier dynamics in many-body interacting systems
Universität Hamburg, 2020
Thesis - PhD
A systematic study of intermolecular interactions in non-covalently bound complexes by using and expanding advanced broadband rotational spectroscopy
Universität Hamburg, 2020
Thesis - PhD
On the interface of quantum electrodynamics and electronic structure theory: Cavity QED
Universität Hamburg, 2020
Thesis - PhD
Photo-Carrier Dynamics and Photo-Induced Melting of Charge Density Waves in Indium Wires
Universität Hamburg, 2020
Thesis - PhD
Controlling superconductivity using tailored THz pulses
Universität Hamburg, 2020
Thesis - PhD
Studying chiral molecules with broadband microwave spectroscopy
Universität Hamburg, 2020
Thesis - PhD
Mixed Quantum-Classical Dynamics in Cavity Quantum Electrodynamics
Universität Hamburg, 2020
Thesis - PhD
Nonequilibrium control of broken-symmetry phases in quantum materials - A low-energy approach
Universität Hamburg, 2020
Thesis - PhD
Development, characterization and application of in-liquid electron imaging and diffraction techniques for high-resolution structural analysis
Universität Hamburg, 2020
Thesis - PhD
Development of a Novel Electron Detector with 80 kHz Frame Rate for Imaging Applications: Simulation of the Detector Response and First Experimental Results
Universität Hamburg, 2020
Thesis - PhD
Novel Approaches in Quantum Chemistry: Self-Consistent Density-Functional Embeddingand Polaritonic Coupled-Cluster Theory
Universität Hamburg, 2020
Thesis - PhD
Numerical simulations for the nonequilibrium control of quantum materials
Universität Hamburg, 2020

Preprint (1)

2020
Preprint
Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease
S. Günther, P. Y. A. Reinke, D. Oberthuer, O. Yefanov, H. Ginn, S. Meier, T. J. Lane, K. Lorenzen, L. Gelisio, W. Brehm, I. Dunkel, M. Domaracky, S. Saouane, J. Lieske, C. Ehrt, F. Koua, A. Tolstikova, T. A. White, M. Groessler, H. Fleckenstein, F. Trost, M. Galchenkova, Y. Gevorkov, C. Li, S. Awel, A. Peck, L. X. Paulraj, M. Barthelmess, F. Schlünzen, N. Werner, H. Andaleeb, N. Ullah, S. Falke, B. A. Franca, M. Schwinzer, H. Brognaro, B. Seychell, H. Gieseler, D. Melo, J. J. Zaitsev-Doyle, B. Norton-Baker, J. Knoska, G. Esperanza, A. R. Mashhour, F. Guicking, V. Hennicke, P. Fischer, C. Rogers, D. C. F. Monteiro, J. Hakanpää, J. Meyer, H. Noei, P. Gribbon, B. Ellinger, M. Kuzikov, M. Wolf, L. Zhang, X. Sun, J. Pletzer-Zelgert, J. Wollenhaupt, C. Feiler, M. Weiss, E.-C. Schulz, P. Mehrabi, C. Schmidt, R. Schubert, H. Han, B. Krichel, Y. Fernández-García, B. Escudero-Pérez, S. Günther, D. Turk, C. Uetrecht, T. Beck, H. Tidow, A. Chari, A. Zaliani, M. Rarey, R. Cox, R. Hilgenfeld, H. N. Chapman, A. R. Pearson, C. Betzel, A. Meents
(2020)
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