MPSD-Publikationen

Zeitschriftenartikel

Rapid deconvolution of low-resolution time-of-flight data using Bayesian inference

C. L. Pieterse, M. de Kock, W. Robertson, H. C. Eggers, R. J. D. Miller

The Journal of Chemical Physics 151 (24), 244307 (2019)

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pre-print

Zeitschriftenartikel

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)

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Zeitschriftenartikel

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 (12), e47743 (2019)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

Mix and Match: Organic and Inorganic Ions in the Perovskite Lattice

J. Gebhardt, A. M. Rappe

Advanced Materials 31 (47), 1802697 (2019)

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pre-print

Zeitschriftenartikel

Reduced Density-Matrix Approach to Strong Matter-Photon Interaction

F. Buchholz, I. Theophilou, S. E. B. Nielsen, M. Ruggenthaler, A. Rubio

ACS Photonics 6 (11), 2694–2711 (2019)

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Zeitschriftenartikel

Light–Matter Response in Nonrelativistic Quantum Electrodynamics

J. Flick, D. Welakuh, M. Ruggenthaler, H. Appel, A. Rubio

ACS Photonics 6 (11), 2757–2778 (2019)

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Zeitschriftenartikel

Photovoltaic Effect from the Viewpoint of Time-reversal Symmetry

S. Sato

Journal of the Physical Society of Japan 88 (11), 115003 (2019)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

Efficient computation of the second-Born self-energy using tensor-contraction operations

R. Tuovinen, F. Covito, M. A. Sentef

The Journal of Chemical Physics 151 (17), 174110 (2019)

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Zeitschriftenartikel

Zweidimensionale Revolution

J. Baldovi, A. Rubio

Spektrum der Wissenschaft 11.19, 52–60 (2019)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

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)

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pre-print

Zeitschriftenartikel

Force balance approach for advanced approximations in density functional theories

M.-L. Tchenkoue Djouom, M. Penz, I. Theophilou, M. Ruggenthaler, A. Rubio

The Journal of Chemical Physics 151 (15), 154107 (2019)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

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)

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Zeitschriftenartikel

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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Zeitschriftenartikel

Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States

J. M. Bofill, J. Ribas-Ariño, R. Valero, G. Albareda Piquer, I. de P. R. Moreira, W. Quapp

Journal of Chemical Theory and Computation 15 (10), 5426–5439 (2019)

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Zeitschriftenartikel

Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations

U. Mordovina, T. Reinhard, I. Theophilou, H. Appel, A. Rubio

Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019)

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Zeitschriftenartikel

Optimal control theory for quantum electrodynamics: an initial state problem

A. Castro, H. Appel, A. Rubio

European Physical Journal B 92 (10), 223 (2019)

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Zeitschriftenartikel

Unveiling the Effect of Magnetic Noise in the Coherence of Single-Molecule Quantum Processors

L. Escalera-Moreno, J. Baldovi

Frontiers in Chemistry 7, 662 (2019)

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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

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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Zeitschriftenartikel

Electron Traversal Times in Disordered Graphene Nanoribbons

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

Entropy 21 (8), 737 (2019)

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