Publications

Journal Article

Disentangling conical intersection and coherent molecular dynamics in methyl bromide with attosecond transient absorption spectroscopy

H. Timmers, X. Zhu, Z. Li, Y. Kobayashi, M. Sabbar, M. Hollstein, M. Reduzzi, T. J. Martínez, D. M. Neumark, S. R. Leone

Nature Communications 10, 3133 (2019)

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Journal Article

Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp)₂]²⁺

A. Britz, W. Gawelda, T. A. Assefa, L. L. Jamula, J. T. Yarranton, A. Galler, D. Khakhulin, M. Diez, M. Harder, G. Doumy, A. M. March, É. Bajnóczi, Z. Németh, M. Pápai, E. Rozsályi, D. S. Szemes, H. Cho, S. Mukherjee, C. Liu, T. K. Kim, R. W. Schoenlein, S. H. Southworth, L. Young, E. Jakubikova, N. Huse, G. Vankó, C. Bressler, J. K. McCusker

Inorganic Chemistry 58 (14), 9341–9350 (2019)

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Journal Article

Energy Current Rectification and Mobility Edges

V. Balachandran, S. R. Clark, J. Goold, D. Poletti

Physical Review Letters 123 (2), 020603 (2019)

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Journal Article

Evidence of Extreme Ultraviolet Superfluorescence in Xenon

L. Mercadier, A. Benediktovitch, C. Weninger, M. A. Blessenohl, S. Bernitt, H. Bekker, S. Dobrodey, A. Sanchez-Gonzalez, B. Erk, C. Bomme, R. Boll, Z. Yin, V. P. Majety, R. Steinbrügge, M. A. Khalal, F. Penent, J. Palaudoux, P. Lablanquie, A. Rudenko, D. Rolles, J. R. C. López-Urrutia, N. Rohringer

Physical Review Letters 123 (2), 023201 (2019)

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Journal Article

Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability

A. Laestadius, E. I. Tellgren, M. Penz, M. Ruggenthaler, S. Kvaal, T. Helgaker

Journal of Chemical Theory and Computation 15 (7), 4003–4020 (2019)

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Journal Article

Time-resolved impurity-invisibility in graphene nanoribbons

R. Tuovinen, M. A. Sentef, C. G. da Rocha, M. S. Ferreira

Nanoscale 11, 12296–12304 (2019)

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Journal Article

Adiabatic Preparation of a Correlated Symmetry‐Broken Initial State with the Generalized Kadanoff–Baym Ansatz

R. Tuovinen, D. Golež, M. Schüler, P. Werner, M. Eckstein, M. A. Sentef

Physica Status Solidi B 256 (7), 1800469 (2019)

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Journal Article

Cavity quantum electrodynamical Chern insulator: Towards light-induced quantized anomalous Hall effect in graphene

X. Wang, E. Ronca, M. A. Sentef

Physical Review B 99 (23), 235156 (2019)

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Journal Article

Density functional theory of superconductivity in doped tungsten oxides

C. Pellegrini, H. Glawe, A. Sanna

Physical Review Materials 3 (6), 064804 (2019)

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Journal Article

Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound

C. Climent, S. Vela, J. Jornet-Somoza, M. Deumal

Physical Chemistry Chemical Physics 21 (23), 12184–12191 (2019)

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Journal Article

Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics

A. Picchiotti, A. Nenov, A. Giussani, V. Prokhorenko, R. J. D. Miller, S. Mukamel, M. Garavelli

The Journal of Physical Chemistry Letters 10 (12), 3481–3487 (2019)

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Journal Article

Metastable ferroelectricity in optically strained SrTiO₃

T. F. Nova, A. Disa, M. Fechner, A. Cavalleri

Science 364 (6445), 1075–1079 (2019)

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pre-print

Journal Article

Cavity Control of Excitons in Two-Dimensional Materials

S. Latini, E. Ronca, U. de Giovannini, H. Hübener, A. Rubio

Nano Letters 19 (6), 3473–3479 (2019)

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Journal Article

Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems

J. Jornet-Somoza, I. Lebedeva

Journal of Chemical Theory and Computation 15 (6), 3743–3754 (2019)

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Journal Article

Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics

N. Hoffmann, C. Schäfer, A. Rubio, A. Kelly, H. Appel

Physical Review A 99 (6), 063819 (2019)

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Journal Article

Illuminating the photoisomerization of a modified azobenzene single crystal by femtosecond absorption spectroscopy

K. M. Krawczyk, R. L. Field, L. C. Liu, M. Dong, G. A. Woolley, R. J. D. Miller

Canadian Journal of Chemistry 97 (6), 488–495 (2019)

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Journal Article

Microscopic theory for the light-induced anomalous Hall effect in graphene

S. Sato, J. W. McIver, M. Nuske, P. Tang, G. Jotzu, B. Schulte, H. Hübener, U. de Giovannini, L. Mathey, M. A. Sentef, A. Cavalleri, A. Rubio

Physical Review B 99 (21), 214302 (2019)

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Journal Article

One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures

K. J. H. Giesbertz, M. Ruggenthaler

Physics Reports: Review Section of Physics Letters 806, 1–47 (2019)

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Journal Article

Ultrafast Pathways of the Photoinduced Insulator–Metal Transition in a Low‐Dimensional Organic Conductor

B. Smit, F. Hüwe, N. Payne, O. Olaoye, I. Bauer, J. Pflaum, M. Schwoerer, H. Schwoerer

Advanced Materials 31 (19), 1900652 (2019)

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Journal Article

Lineage-specific control of TFIIH by MITF determines transcriptional homeostasis and DNA repair

M. Seoane, S. Buhs, P. Iglesias, J. Strauss, A.-C. Puller, J. Müller, H. Gerull, S. Feldhaus, M. Alawi, J. M. Brandner, D. Eggert, J. Du, J. Thomale, P. J. Wild, M. Zimmermann, T. Sternsdorf, U. Schumacher, P. Nollau, D. E. Fisher, M. A. Horstmann

Oncogene 38 (19), 3616–3635 (2019)

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Journal Article

Measuring non-equilibrium dynamics in complex solids with ultrashort x-ray pulses

M. Buzzi, M. Först, A. Cavalleri

Philosophical Transactions of the Royal Society of London - Series A: Mathematical Physical and Engineering Sciences 377 (2145), 20170478 (2019)

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Journal Article

Rapid mixing of colliding picoliter liquid droplets delivered through-space from piezoelectric-actuated pipettes characterized by time-resolved fluorescence monitoring

L. Y. Wu, F. Tellkamp, M. Khajehpour, W. Robertson, R. J. D. Miller

Review of Scientific Instruments 90 (5), 055109 (2019)

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Journal Article

Functional Printing of Conductive Silver-Nanowire Photopolymer Composites

T. E. Glier, L. Akinsinde, M. Paufler, F. Otto, M. Hashemi, L. Grote, L. Daams, G. Neuber, B. Grimm-Lebsanft, F. Biebl, D. Rukser, M. Lippmann, W. Ohm, M. Schwartzkopf, C. J. Brett, T. Matsuyama, S. V. Roth, M. Rübhausen

Scientific Reports 9, 6465 (2019)

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Journal Article

Ab initio simulation of laser-induced water decomposition close to carbon nanotubes

Y. Miyamoto, H. Zhang, X. Cheng, A. Rubio

Physical Review B 99 (16), 165424 (2019)

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Journal Article

Highly stable, 100 W average power from fiber-based ultrafast laser system at 1030 nm based on single-pass photonic-crystal rod amplifier

C. P. K. Manchee, J. Möller, R. J. D. Miller

Optics Communications 437, 6–10 (2019)

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Journal Article

Thermal and nonthermal melting of III-V compound semiconductors

N. Medvedev, Z. Fang, C. Xia, Z. Li

Physical Review B 99 (14), 144101 (2019)

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Journal Article

Controlling Nanoparticle Orientations in the Self-Assembly of Patchy Quantum Dot-Gold Heterostructural Nanocrystals

H. Zhu, Z. Fan, L. Yu, M. A. Wilson, Y. Nagaoka, D. Eggert, C. Cao, Y. Liu, Z. Wei, X. Wang, J. He, J. Zhao, R. Li, Z. Wang, M. Grünwald, O. Chen

Journal of the American Chemical Society 141 (14), 6013–6021 (2019)

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Journal Article

Hidden order in quantum many-body dynamics of driven-dissipative nonlinear photonic lattices

J. Tangpanitanon, S. R. Clark, V. M. Bastidas, R. Fazio, D. Jaksch, D. G. Angelakis

Physical Review A 99 (4), 043808 (2019)

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Journal Article

Cavity-mediated electron-photon superconductivity

F. Schlawin, A. Cavalleri, D. Jaksch

Physical Review Letters 122 (13), 133602 (2019)

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Journal Article

Big data approach for effective ionic radii

J. Gebhardt, A. M. Rappe

Computer Physics Communications 237, 238–243 (2019)

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pre-print

Journal Article

Terahertz-driven phonon upconversion in SrTiO₃

M. Kozina, M. Fechner, P. Marsik, T. van Driel, J. M. Glownia, C. Bernhard, M. Radovic, D. Zhu, S. Bonetti, U. Staub, M. C. Hoffmann

Nature Physics 15 (4), 387–392 (2019)

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Journal Article

Pikosekundenlaser-Faser-assistierte Sklerostomie (PIRL-FAST): Ein erster Machbarkeitsnachweis

J. Mehlan, S. Maier, N.-O. Hansen, T. Gosau, D. Eggert, M. Spitzer, H. Petersen, S. J. Linke, R. J. D. Miller

Ophthalmologe 116 (4), 346–350 (2019)

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Journal Article

Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model

T. Reinhard, U. Mordovina, C. Hubig, J. S. Kretchmer, U. Schollwöck, H. Appel, M. A. Sentef, A. Rubio

Journal of Chemical Theory and Computation 15 (4), 2221–2232 (2019)

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Journal Article

Asymmetry in energy versus spin transport in certain interacting disordered systems

J. J. Mendoza-Arenas, M. Žnidarič, V. K. Varma, J. Goold, S. R. Clark, A. Scardicchio

Physical Review B 99 (9), 094435 (2019)

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Journal Article

Ultrafast Energy Transfer in Excitonically Coupled Molecules Induced by a Nonlocal Peierls Phonon

H.-G. Duan, P. Nalbach, R. J. D. Miller, M. Thorwart

The Journal of Physical Chemistry Letters 10 (6), 1206–1211 (2019)

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Journal Article

Polarization-state-resolved high-harmonic spectroscopy of solids

N. Klemke, N. Tancogne-Dejean, G. M. Rossi, Y. Yang, F. Scheiba, R. E. Mainz, G. Di Sciacca, A. Rubio, F. X. Kärtner, O. D. Mücke

Nature Communications 10, 1319 (2019)

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Journal Article

Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry

C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 116 (11), 4883–4892 (2019)

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Journal Article

Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation

D. A. Duncan, P. C. Aguilar, M. Paszkiewicz, K. Diller, F. Bondino, E. Magnano, F. Klappenberger, I. Píš, A. Rubio, J. V. Barth, A. Pérez Paz, F. Allegretti

The Journal of Chemical Physics 150 (9), 094702 (2019)

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Journal Article

Nonlinear polarization evolution using time-dependent density functional theory

M. Uemoto, Y. Kuwabara, S. Sato, K. Yabana

The Journal of Chemical Physics 150 (9), 094101 (2019)

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Journal Article

Orbital magneto-optical response of periodic insulators from first principles

I. V. Lebedeva, D. A. Strubbe, I. V. Tokatly, A. Rubio

Npj Computational Materials 5, 32 (2019)

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Journal Article

Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states

D. Shin, S. Sato, H. Hübener, U. de Giovannini, J. Kim, N. Park, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 116 (10), 4135–4140 (2019)

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Journal Article

Relativistic Modeling of Ultra-Short Electron Pulse Propagation

I. V. Kochikov, R. J. D. Miller, A. A. Ischenko

Journal of Experimental and Theoretical Physics - JETP 128 (3), 333–340 (2019)

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Journal Article

Sampling of Tissues with Laser Ablation for Proteomics: Comparison of Picosecond Infrared Laser and Microsecond Infrared Laser

A. Krutilin, S. Maier, R. Schuster, S. Kruber, M. Kwiatkowski, W. Robertson, N.-O. Hansen, R. J. D. Miller, H. Schlüter

Journal of Proteome Research 18 (3), 1451–1457 (2019)

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Journal Article

Fixed-target serial oscillation crystallography at room temperature

J. L. Wierman, O. Paré-Labrosse, A. Sarracini, J. E. Besaw, M. J. Cook, S. Oghbaey, H. Daoud, P. Mehrabi, I. Kriksunov, A. Kuo, D. J. Schuller, S. Smith, O. P. Ernst, D. M. E. Szebenyi, S. M. Gruner, R. J. D. Miller, A. D. Finkea

IUCrJ 6, 305–316 (2019)

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Journal Article

Nonadiabatic quantum dynamics without potential energy surfaces

G. Albareda Piquer, A. Kelly, A. Rubio

Physical Review Materials 3 (2), 023803 (2019)

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