Publications

Journal Article

Ultrashort Free-Electron Laser X-ray Pulses

W. Helml, I. Grguraš, P. N. Juranić, S. Düsterer, T. Mazza, A. R. Maier, N. Hartmann, M. Ilchen, G. Hartmann, L. Patthey, C. Callegari, J. T. Costello, M. Meyer, R. N. Coffee, A. L. Cavalieri, R. Kienberger

Applied Sciences 7 (9), 915 (2017)

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Journal Article

Review of the theoretical description of time-resolved angle-resolved photoemission spectroscopy in electron-phonon mediated superconductors

A. F. Kemper, M. A. Sentef, B. Moritz, T. P. Devereaux, J. K. Freericks

Annalen der Physik 529 (9), 1600235 (2017)

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Journal Article

Low-dose cryo electron ptychography via non-convex Bayesian optimization

P. Pelz, W. X. Qiu, R. Bücker, G. Kassier, R. J. D. Miller

Scientific Reports 7, 9883 (2017)

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Journal Article

Terahertz field control of interlayer transport modes in cuprate superconductors

F. Schlawin, A. S. D. Dietrich, M. Kiffner, A. Cavalleri, D. Jaksch

Physical Review B 96 (6), 064526 (2017)

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Journal Article

Ultrafast electronic band gap control in an excitonic insulator

S. Mor, M. Herzog, D. Golež, P. Werner, M. Eckstein, N. Katayama, M. Nohara, H. Takagi, T. Mizokawa, C. Monney, J. Stähler

Physical Review Letters 119 (8), 086401 (2017)

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Journal Article

Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties

L. D. Xian, A. P. Paz, E. Bianco, P. M. Ajayan, A. Rubio

2D Materials 4 (4), 041003 (2017)

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Journal Article

Anomalous relaxation kinetics and charge density wave correlations in underdoped BaPb_1-xBixO₃

D. Nicoletti, E. Casandruc, D. Fu, P. Giraldo-Gallo, I. Fisher, A. Cavalleri

Proceedings of the National Academy of Sciences of the United States of America 114 (34), 9020–9025 (2017)

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Journal Article

Tracking an electronic wave packet in the vicinity of a conical intersection

D.-L. Qi, H.-G. Duan, Z.-R. Sun, R. J. D. Miller, M. Thorwart

The Journal of Chemical Physics 147, 074101 (2017)

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Journal Article

Simulation of photo-excited adenine in water with a hierarchy of equations of motion approach

A. G. Dijkstra, V. Prokhorenko

The Journal of Chemical Physics 147 (6), 064102 (2017)

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Journal Article

Nature does not rely on long-lived electronic quantum coherence for photosynthetic energy transfer

H.-G. Duan, V. Prokhorenko, R. Cogdell, K. Ashraf, A. Stevens, M. Thorwart, R. J. D. Miller

Proceedings of the National Academy of Sciences of the United States of America 114 (32), 8493–8498 (2017)

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Journal Article

Enhancement of superexchange pairing in the periodically driven Hubbard model

J. R. Coulthard, S. R. Clark, S. Al-Assam, A. Cavalleri, D. Jaksch

Physical Review B 96 (8), 085104 (2017)

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Journal Article

Probing carrier dynamics in photo-excited graphene with time-resolved ARPES

I. Gierz

Journal of Electron Spectroscopy and Related Phenomena 219 (SI), 53–56 (2017)

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Journal Article

Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state

D. Bernhard, F. Dietrich, M. Fatima, C. Pérez, A. Poblotzki, G. Jansen, M. A. Suhm, M. Schnell, M. Gerhards

Physical Chemistry Chemical Physics 19 (27), 18076–18088 (2017)

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Journal Article

U(1)×SU(2) gauge invariance made simple for density functional approximations

S. Pittalis, G. Vignale, F. G. Eich

Physical Review B 96 (3), 035141 (2017)

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Journal Article

Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe₂

L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, R. Ernstorfer

Physical Review Letters 119 (3), 036803 (2017)

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Journal Article

Anomalous anisotropic exciton temperature dependence in rutile TiO₂

E. Baldini, A. Dominguez, L. Chiodo, E. Sheveleva, M. Yazdi-Rizi, C. Bernhard, A. Rubio, M. Chergui

Physical Review B 96 (4), 041204 (2017)

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Journal Article

Nonequilibrium steady states and transient dynamics of conventional superconductors under phonon driving

Y. Murakami, N. Tsuji, M. Eckstein, P. Werner

Physical Review B 96 (4), 045125 (2017)

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Journal Article

Effective mass of quasiparticles from thermodynamics

F. G. Eich, M. Holzmann, and G. Vignale

Physical Review B 96 (3), 035132 (2017)

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Journal Article

Ultrafast momentum imaging of pseudospin-flip excitations in graphene

S. Aeschlimann, R. Krause, M. Chavez Cervantes, H. Bromberger, R. Jago, E. Malić, A. Al-Temimy, C. Coletti, A. Cavalleri, I. Gierz

Physical Review B 96 (2), 020301 (2017)

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Journal Article

Controlling heat and particle currents in nanodevices by quantum observation

R. Biele, C. A. Rodríguez-Rosario, T. Frauenheim, A. Rubio

Npj Quantum Materials 2, 38 (2017)

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Journal Article

TDDFT-Based Study on the Proton-DNA Collision

R. Seraide, M. A. Bernal, G. Brunetto, U. de Giovannini, A. Rubio

The Journal of Physical Chemistry B 121 (30), 7276–7283 (2017)

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Journal Article

A global study of the conformers of 1,2-propanediol and new vibrationally excited states

B. Arenas, S. Gruet, A. L. Steber, M. Schnell

Journal of Molecular Spectroscopy 337 (SI), 9–16 (2017)

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Journal Article

Dephasing enhanced spin transport in the ergodic phase of a many‐body localizable system

M. Žnidarič, J. J. Mendoza‐Arenas, S. R. Clark, J. Goold

Annalen der Physik 529 (7), UNSP 1600298 (2017)

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Journal Article

Vortex circulation patterns in planar microdisk arrays

S. Velten, R. Streubel, A. Farhan, N. Kent, M.-Y. Im, A. Scholl, S. Dhuey, C. Behncke, G. Meier, P. Fischer

Applied Physics Letters 110, 262406 (2017)

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Journal Article

Dynamical multiferroicity

D. M. Juraschek, M. Fechner, A. V. Balatsky, N. A. Spaldin

Physical Review Materials 1 (1), 014401 (2017)

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Journal Article

Ultrafast reversal of the ferroelectric polarization

R. Mankowsky, A. von Hoegen, M. Först, A. Cavalleri

Physical Review Letters 118, 197601 (2017)

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Journal Article

Nonlinear Electron-Phonon Coupling in Doped Manganites

V. Esposito, M. Fechner, R. Mankowsky, H. Lemke, M. Chollet, J. M. Glownia, M. Nakamura, M. Kawasaki, Y. Tokura, U. Staub, P. Beaud, M. Först

Physical Review Letters 118 (24), 247601 (2017)

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Journal Article

Nonequilibrium GW+EDMFT: Antiscreening and Inverted Populations from Nonlocal Correlations

D. Golež, L. Boehnke, H. U. R. Strand, M. Eckstein, P. Werner

Physical Review Letters 118 (24), 246402 (2017)

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Journal Article

Corannulene and its complex with water: a tiny cup of water

C. Pérez, A. L. Steber, A. M. Rijs, B. Temelso, G. C. Shields, J. C. Lopez, Z. Kisiel, M. Schnell

Physical Chemistry Chemical Physics 19 (22), 14214–14223 (2017)

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Journal Article

Nonlinear optical response in molecular nitrogen: from ab-initio calculations to optical pulse simulations

A. Bahl, V. P. Majety, A. Scrinzi, M. Kolesik

Optics Letters 42 (12), 2295–2298 (2017)

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Journal Article

Nuclear Resonant Surface Diffraction of Synchrotron Radiation

K. Schlage, L. Dzemiantsova, L. Bocklage, H.-C. Wille, M. Pues, G. Meier, R. Röhlsberger

Physical Review Letters 118, 237204 (2017)

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Journal Article

Capturing Chemistry in Action with Electrons: Realization of Atomically Resolved Reaction Dynamics

A. A. Ischenko, P. M. Weber, R. J. D. Miller

Chemical Reviews 117 (16), 11066–11124 (2017)

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Journal Article

Structural Dynamics upon Photoexcitation in a Spin Crossover Crystal Probed with Femtosecond Electron Diffraction

Y. Jiang, L. C. Liu, H. Müller-Werkmeister, C. Lu, D. Zhang, R. L. Field, A. Sarracini, G. Moriena, E. Collet, R. J. D. Miller

Angewandte Chemie, International Edition in English 56 (25), 7130–7134 (2017)

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D. S. Badali, R. J. D. Miller

Journal Article

Robust reconstruction of time-resolved diffraction from ultrafast streak cameras

Structural Dynamics 4 (5), 054302 (2017)

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Journal Article

Linear photoabsorption spectra and vertical excitation energies of microsolvated DNA nucleobases in aqueous solution

M. Pola, M. Kochman, A. Picchiotti, V. Prokhorenko, R. J. D. Miller, M. Thorwart

Journal of Theoretical and Computational Chemistry 16 (4), 1750028 (2017)

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Journal Article

Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures

H. S. Sen, L. Xian, F. da Jornada, S. G. Louie, A. Rubio

Israel Journal of Chemistry 57 (6), 540–546 (2017)

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Journal Article

Coherent ultrafast lattice-directed reaction dynamics of triiodide anion photodissociation

R. Xian, G. Corthey, D. M. Rogers, C. A. Morrison, V. Prokhorenko, S. A. Hayes, R. J. D. Miller

Nature Chemistry 9 (6), 516–522 (2017)

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Journal Article

A three operator split-step method covering a larger set of non-linear partial differential equations

H. Zia

Communications in Nonlinear Science and Numerical Simulation 47, 277–291 (2017)

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Journal Article

Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor

S. Yan, L. Malavolti, J. A. J. Burgess, A. Droghetti, A. Rubio, S. Loth

Science Advances 3 (5), e1603137 (2017)

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Journal Article

Monodisperse Hexagonal Pyramidal and Bipyramidal Wurtzite CdSe-CdS Core–Shell Nanocrystals

R. Tan, Y. Yuan, Y. Nagaoka, D. Eggert, X. Wang, S. Thota, P. Guo∥, H. Yang, J. Zhao, O. Chen

Chemistry of Materials 29 (9), 4097–4108 (2017)

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Journal Article

Light-enhanced electron-phonon coupling from nonlinear electron-phonon coupling

M. A. Sentef

Physical Review B 95 (20), 205111 (2017)

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Journal Article

Ultrafast switching of composite order in A3C60

P. Werner, H. U. R. Strand, S. Hoshino, M. Eckstein

Physical Review B 95 (19), 195405 (2017)

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Journal Article

Atomic-scale sensing of the magnetic dipolar field from single atoms

T. Choi, W. Paul, S. Rolf-Pissarczyk, A. J. Macdonald, F. D. Natterer, K. Yang, P. Willke, C. P. Lutz, A. J. Heinrich

Nature Nanotechnology 12 (5), 420–424 (2017)

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Journal Article

The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit

P. J. M. Johnson, M. Farag, A. Halpin, T. Morizumi, V. Prokhorenko, J. Knoester, T. L. C. Jansen, O. P. Ernst, R. J. D. Miller

The Journal of Physical Chemistry B 121 (16), 4040–4047 (2017)

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Journal Article

Strongly bound excitons in anatase TiO₂ single crystals and nanoparticles

E. Baldini, L. Chiodo, A. Dominguez, M. Palummo, S. Moser, M. Yazdi-Rizi, G. Auböck, B. P. P. Mallett, H. Berger, A. Magrez, C. Bernhard, M. Grioni, A. Rubio, M. Chergui

Nature Communications 8, 13 (2017)

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Journal Article

Compression of high-density 0.16 pC electron bunches through high field gradients for ultrafast single shot electron diffraction: The Compact RF Gun

H. Daoud, K. Floettmann, R. J. D. Miller

Structural Dynamics 4 (4), 044016 (2017)

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Journal Article

Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding Method

J. J. Kranz, M. Elstner, B. Aradi, T. Frauenheim, V. Lutsker, A. Domínguez García, T. A. Niehaus

Journal of Chemical Theory and Computation 13 (4), 1737–1747 (2017)

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