MPSD Publications

MPSD Publications

Journal Article (750)

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
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, 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, 1490 (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
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, 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, 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
Light-induced anomalous Hall effect in graphene
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)
Journal Article
Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
ACS Photonics xxxx (xxx), xxx-xxx (2020)
2019
Journal Article
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
The Journal of Chemical Physics 151 (24), 244113 (2019)
Journal Article
Rapid deconvolution of low-resolution time-of-flight data using Bayesian inference
C. L. Pieterse, M. B. de Kock, W. Robertson, H. C. Eggers, R. J. D. Miller
The Journal of Chemical Physics 151 (24), 244307 (2019)
Journal Article
Low-signal limit of X-ray single particle diffractive imaging
K. Ayyer, A. J. Morgan, A. Aquila, H. DeMirci, B. G. Hogue, R. A. Kirian, L. X. Paulraj, C. H. Yoon, H. N. Chapman, A. Barty
Optics Express 27 (26), 37816–37833 (2019)
Journal Article
Stochastic Schrödinger Equations and Conditional States: A General Non-Markovian Quantum Electron Transport Simulator for THz Electronics
D. Pandey, E. Colomés, G. Albareda Piquer, X. Oriols
Entropy 21 (12), 1148 (2019)
Journal Article
Exciton control in a room temperature bulk semiconductor with coherent strain pulses
E. Baldini, A. Dominguez, T. Palmieri, O. Cannelli, A. Rubio, P. Ruello, M. Chergui
Science Advances 5 (11), eaax2937 (2019)
Journal Article
Mix and Match: Organic and Inorganic Ions in the Perovskite Lattice
J. Gebhardt, A. M. Rappe
Advanced Materials 31 (47), 1802697 (2019)
Journal Article
Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
ACS Photonics 6 (11), 2694–2711 (2019)
Journal Article
Light–Matter Response in Nonrelativistic Quantum Electrodynamics
ACS Photonics 6 (11), 2757–2778 (2019)
Journal Article
Photovoltaic Effect from the Viewpoint of Time-reversal Symmetry
Journal of the Physical Society of Japan 88 (11), 115003 (2019)
Journal Article
Attosecond screening dynamics mediated by electron localization in transition metals
M. Volkov, S. Sato, F. Schlaepfer, L. Kasmi, N. Hartmann, M. Lucchini, L. Gallmann, A. Rubio, U. Keller
Nature Physics 15 (11), 1145–1149 (2019)
Journal Article
Field-Induced Slow Magnetic Relaxation In the First Dy(III)-centered 12-Metallacrown-4 Double-Decker
A. A. Athanasopoulou, J. Baldovi, L. M. Carrella, E. Rentschler
Dalton Transactions 48 (41), 15381–15385 (2019)
Journal Article
Spectroscopic Signature of Chemical Bond Dissociation Revealed by Calculated Core-Electron Spectra
L. Inhester, Z. Li, X. Zhu, N. Medvedev, T. J. A. Wolf
The Journal of Physical Chemistry Letters 10 (21), 6536–6544 (2019)
Journal Article
Efficient computation of the second-Born self-energy using tensor-contraction operations
The Journal of Chemical Physics 151 (17), 174110 (2019)
Journal Article
Radial somatic F‐actin organization affects growth cone dynamics during early neuronal development
D. P. Meka, R. Scharrenberg, B. Zhao, O. Kobler, T. König, I. Schaefer, B. Schwanke, S. Klykov, M. Richter, D. Eggert, S. Windhorst, C. G. Dotti, M. R. Kreutz, M. Mikhaylova, F. C. de Anda
EMBO Reports 20 (11), e47743 (2019)
Journal Article
Zweidimensionale Revolution
Spektrum der Wissenschaft 11.19, 52–60 (2019)
Journal Article
Time propagation of the coupled Maxwell and Kohn-Sham equations using the Riemann-Silberstein formalism
C. Covington, D. Kidd, H. Buckner, H. Appel, K. Varga
Physical Review E 100 (5), 053301 (2019)
Journal Article
Exploring the transport properties of equatorially low-coordinated erbium single ion magnets
S. Giménez-Santamarina⁠, S. Cardona-Serra, J. Baldovi
Journal of Magnetism and Magnetic Materials 489, 165455 (2019)
Journal Article
Force balance approach for advanced approximations in density functional theories
The Journal of Chemical Physics 151 (15), 154107 (2019)
Journal Article
Distinguishing Majorana zero modes from impurity states through time-resolved transport
R. Tuovinen, E. Perfetto, R. van Leeuwen, G. Stefanucci, M. A. Sentef
New Journal of Physics 21, 103038 (2019)
Journal Article
LIPSS on thin metallic films: New insights from multiplicity of laser-excited electromagnetic modes and efficiency of metal oxidation
A. V. Dostovalov, T. Derrien, S. A. Lizunov, F. Přeučil, K. A. Okotrub, T. Mocek, V. P. Korolkov, S. A. Babin, N. M. Bulgakova
Applied Surface Science 491, 650–658 (2019)
Journal Article
Floquet-engineered light-cone spreading of correlations in a driven quantum chain
M. Kalthoff, D. M. Kennes, M. A. Sentef
Physical Review B 100 (16), 165125 (2019)
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