Publications

Journal Article

Liquid application method for time-resolved analyses by serial synchrotron crystallography

P. Mehrabi, E.-C. Schulz, M. Agthe, S. Horrell, G. Bourenkov, D. von Stetten, J.-P. Leimkohl, H. Schikora, T. R. Schneider, A. R. Pearson, F. Tellkamp, R. J. D. Miller

Nature Methods 16 (10), 979–982 (2019)

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Journal Article

Topological Floquet engineering of twisted bilayer graphene

G. Topp, G. Jotzu, J. W. McIver, L. D. Xian, A. Rubio, M. A. Sentef

Physical Review Research 1 (2), 023031 (2019)

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Journal Article

Electronic, Structural and Functional Versatility in Tetrathiafulvalene-Lanthanide Metal-Organic Frameworks

J. Castells-Gil, S. Mañas-Valero, I. J. Vitórica-Yrezábal, D. Ananias, J. Rocha, R. Santiago, S. T. Bromley, J. Baldovi, E. Coronado, M. Soutoa, G. M. Espallargasa

Chemistry – A European Journal 25 (54), 12636–12643 (2019)

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Journal Article

Does electronic coherence enhance anticorrelated pigment vibrations under realistic conditions?

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

The Journal of Chemical Physics 151 (11), 114115 (2019)

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Journal Article

Exploring the High-Temperature Frontier in Molecular Nanomagnets: From Lanthanides to Actinides

L. Escalera-Moreno, J. Baldovi, A. Gaita-Ariño, E. Coronado

Inorganic Chemistry 58 (18), 11883–11892 (2019)

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Journal Article

Time-resolved crystallography reveals allosteric communication aligned with molecular breathing

P. Mehrabi, E.-C. Schulz, R. Dsouza, H. Müller-Werkmeister, F. Tellkamp, R. J. D. Miller, E. F. Pai

Science 365 (6458), 1167–1170 (2019)

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Journal Article

Ultrafast ring-opening and solvent-dependent product relaxation of photochromic spironaphthopyran

S. Bittmann, R. Dsouza, K. M. Siddiqui, S. A. Hayes, A. Rossos, G. Corthey, M. Kochman, V. Prokhorenko, R. S. Murphy, H. Schwoerer, R. J. D. Miller

Physical Chemistry Chemical Physics 21 (33), 18119–18127 (2019)

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Journal Article

Light-induced anomalous Hall effect in massless Dirac fermion systems and topological insulators with dissipation

S. Sato, P. Tang, M. A. Sentef, U. de Giovannini, H. Hübener, A. Rubio

New Journal of Physics 21, 093005 (2019)

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Journal Article

NetKet: A machine learning toolkit for many-body quantum systems

G. Carleo, K. Choo, D. Hofmann, J. E. T. Smith, T. Westerhout, F. Alet, E. J. Davis, S. Efthymiou, I. Glasser, S.-H. Lin, M. Mauri, G. Mazzola, C. B. Mendl, E. van Nieuwenburg, O. O’Reilly, H. Théveniaut, G. Torlai, F. Vicentini, A. Wietek

SoftwareX 10, 100311 (2019)

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Journal Article

Vanadyl phthalocyanines on graphene/SiC(0001): toward a hybrid architecture for molecular spin qubits

I. Cimatti, L. Bondì, G. Serrano, L. Malavolti, B. Cortigiani, E. Velez-Fort, D. Betto, A. Ouerghi, N. B. Brookes, S. Loth, M. Mannini, F. Totti, R. Sessolia

Nanoscale Horizons 4 (5), 1202–1210 (2019)

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Journal Article

Exact Potential Energy Surface for Molecules in Cavities

L. Lacombe, N. Hoffmann, N. T. Maitra

Physical Review Letters 123 (8), 083201 (2019)

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ZIP

Journal Article

Direct evaluation of the isotope effect within the framework of density functional theory for superconductors

M. Lüders, P. Cudazzo, G. Profeta, A. Continenza, S. Massidda, A. Sanna, E. K. U. Gross

Journal of Physics: Condensed Matter 31 (33), 334001 (2019)

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Journal Article

Paramagnetic Carbon Nanosheets with Random Hole Defects and Oxygenated Functional Groups

S. M. Jung, J. Park, D. Shin, H. Y. Jeong, D. Lee, I. Y. Jeon, H. Cho, N. Park, J. W. Yoo, J. B. Baek

Angewandte Chemie International Edition 58 (34), 11670–11675 (2019)

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Journal Article

Light-induced d-wave superconductivity through Floquet-engineered Fermi surfaces in cuprates

D. M. Kennes, M. Claassen, M. A. Sentef, C. Karrasch

Physical Review B 100 (7), 075115 (2019)

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Journal Article

Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor

L. D. Xian, D. M. Kennes, N. Tancogne-Dejean, M. Altarelli, A. Rubio

Nano Letters 19 (8), 4934–4940 (2019)

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Journal Article

Local structure and magnetism of La_xEu_1−xPO₄ solid solutions

L. Martel, A. Rakhmatullin, J. Baldovi, M. Perfetti, K. Popa, M. Deschamps, T. Gouder, E. Colineau, A. Kovács, J.-C. Griveau

Physical Review B 100 (5), 054412 (2019)

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Journal Article

Ultrafast transient increase of oxygen octahedral rotations in a perovskite

M. Porer, M. Fechner, M. Kubli, M. J. Neugebauer, S. Parchenko, V. Esposito, A. Narayan, N. A. Spaldin, R. Huber, M. Radovic, E. M. Bothschafter, J. M. Glownia, T. Sato, S. Song, S. L. Johnson, U. Staub

Physical Review Research 1 (1), 012005 (2019)

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Journal Article

Electron Traversal Times in Disordered Graphene Nanoribbons

M. Ridley, M. A. Sentef, R. Tuovinen

Entropy 21 (8), 737 (2019)

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Journal Article

Universal Optical Control of Chiral Superconductors and Majorana Modes

M. Claassen, D. M. Kennes, M. Zingl, M. A. Sentef, A. Rubio

Nature Physics 15, 766–770 (2019)

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pre-print

Journal Article

Maximized electron interactions at the magic angle in twisted bilayer graphene

A. Kerelsky, L. J. McGilly, D. M. Kennes, L. D. Xian, M. Yankowitz, S. Chen, K. Watanabe, T. Taniguchi, J. Hone, C. Dean, A. Rubio, A. N. Pasupathy

Nature 572 (7767), 95–100 (2019)

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Journal Article

Experimental Determination of Single Molecule Toroic Behaviour in a Dy₈ Single-Molecule Magnet

Q. Zhang, M. L. Baker, S. Li, M. P. Sarachik, J. Baldovi, A. Gaita-Ariño, E. Coronado, D. I. Alexandropoulos, T. C. Stamatatos

Nanoscale 11 (32), 15131–15138 (2019)

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Journal Article

Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields

V. Rokaj, M. Penz, M. A. Sentef, M. Ruggenthaler, A. Rubio

Physical Review Letters 123 (4), 047202 (2019)

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Journal Article

Substrate-Based Allosteric Regulation of a Homodimeric Enzyme

P. Mehrabi, C. D. Pietrantonio, T. H. Kim, A. Sljoka, K. Taverner, C. Ing, N. Kruglyak, R. Pomès, E. F. Pai, R. S. Prosser

Journal of the American Chemical Society 141 (29), 11540–11556 (2019)

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Journal Article

Charge density wave melting in one-dimensional wires with femtosecond subgap excitation

M. Chavez Cervantes, G. Topp, S. Aeschlimann, R. Krause, S. Sato, M. A. Sentef, I. Gierz

Physical Review Letters 123 (3), 036405 (2019)

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Journal Article

Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions

M. Penz, A. Laestadius, E. I. Tellgren, M. Ruggenthaler

Physical Review Letters 123 (3), 037401 (2019)

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Journal Article

Disentangling lattice and electronic contributions to the metal–insulator transition from bulk vs. layer confined RNiO₃

A. B. Georgescu, O. E. Peil, A. Disa, A. Georges, A. J. Millis

Proceedings of the National Academy of Sciences of the United States of America 116 (29), 14434–14439 (2019)

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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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ZIP

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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ZIP

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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