Publications

Journal Article

Dual Luminescence, Interligand Decay, and Nonradiative Electronic Relaxation of Cyclometalated Iridium Complexes in Solution

E. Pomarico, M. Silatani, F. Messina, O. Braem, A. Cannizzo, E. Barranoff, J. H. Klein, C. Lambert, M. Chergui

The Journal of Physical Chemistry C 120 (30), 16459–16469 (2016)

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Journal Article

Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study

I. Kylänpää, F. Berardi, E. Räsänen, P. García-González, C. A. Rozzi, A. Rubio

New Journal of Physics 18 (8), 083014 (2016)

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Journal Article

Josephson plasmonics in layered superconductors

Y. Laplace, A. Cavalleri

Advances in Physics: X 1 (3), 387–411 (2016)

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Journal Article

Single-shot diffraction data from the Mimivirus particle using an X-ray free-electron laser

T. Ekeberg, M. Svenda, M. M. Seibert, C. Abergel, F. R. N. C. Maia, V. Seltzer, D. P. DePonte, A. Aquila, J. Andreasson, B. Iwan, O. Jönsson, D. Westphal, D. Odić, I. Andersson, A. Barty, M. Liang, A. V. Martin, L. Gumprecht, H. Fleckenstein, S. Bajt, M. Barthelmess, N. Coppola, J.-M. Claverie, N. D. Loh, C. Bostedt, J. D. Bozek, J. Krzywinski, M. Messerschmidt, M. J. Bogan, C. Y. Hampton, R. G. Sierra, M. Frank, R. L. Shoeman, L. Lomb, L. Foucar, S. Epp, D. Rolles, A. Rudenko, R. Hartmann, A. Hartmann, N. Kimmel, P. Holl, G. Weidenspointner, B. Rudek, B. Erk, S. Kassemeyer, I. Schlichting, L. Strüder, J. Ullrich, C. Schmidt, F. Krasniqi, G. Hauser, C. Reich, H. Soltau, S. Schorb, H. Hirsemann, C. Wunderer, H. Graafsma, H. Chapman, J. Hajdu

Scientific Data 3, 160060 (2016)

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Journal Article

A data set from flash X-ray imaging of carboxysomes

M. F. Hantke, D. Hasse, T. Ekeberg, K. John, M. Svenda, D. Loh, A. V. Martin, N. Timneanu, D. S. D. Larsson, G. van der Schot, G. H. Carlsson, M. Ingelman, J. Andreasson, D. Westphal, B. Iwan, C. Uetrecht, J. Bielecki, M. Liang, F. Stellato, D. P. DePonte, S. Bari, R. Hartmann, N. Kimmel, R. A. Kirian, M. M. Seibert, K. Mühlig, S. Schorb, K. Ferguson, C. Bostedt, S. Carron, J. D. Bozek, D. Rolles, A. Rudenko, L. Foucar, S. W. Epp, H. N. Chapman, A. Barty, I. Andersson, J. Hajdu, F. R. N. C. Maia

Scientific Data 3, 160061 (2016)

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Journal Article

Exact maps in density functional theory for lattice models

T. Dimitrov, H. Appel, J. I. Fuks, A. Rubio

New Journal of Physics 18 (8), 083004 (2016)

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Journal Article

TakeTwo: an indexing algorithm suited to still images with known crystal parameters

H. M. Ginn, P. Roedig, A. Kuo, G. Evans, N. K. Sauter, O. Ernst, A. Meents, H. Müller-Werkmeister, R. J. D. Miller, D. I. Stuart

Acta Crystallographica Section D: Structural Biology 72 (8), 956–965 (2016)

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Journal Article

Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography

S. Oghbaey, A. Sarracini, H. M. Ginn, O. Pare-Labrosse, A. Kuo, A. Marx, S. W. Epp, D. A. Sherrell, B. T. Eger, Y. P. Zhong, R. Loch, V. Mariani, R. Alonso-Mori, S. Nelson, H. T. Lemke, R. L. Owen, A. R. Pearson, D. I. Stuart, O. P. Ernst, H. Müller-Werkmeister, R. J. D. Miller

Acta Crystallographica Section D: Structural Biology 72 (8), 944–955 (2016)

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Journal Article

Photoinduced gap closure in an excitonic insulator

D. Golež, P. Werner, M. Eckstein

Physical Review B 94 (3), 035121 (2016)

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Journal Article

Bandgap Modulation in Photoexcited Topological Insulator Bi₂Te₃ via Atomic Displacements

M. Hada, K. Norimatsu, S. Tanaka, S. Keskin, T. Tsuruta, K. Igarashi, T. Ishikawa, Y. Kayanuma, R. J. D. Miller, K. Onda, T. Sasagawa, S.-ya Koshihara, K. G. Nakamura

The Journal of Chemical Physics 145 (2), 024504 (2016)

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Journal Article

Role of heat accumulation in the multi-shot damage of silicon irradiated with femtosecond XUV pulses at a 1 MHz repetition rate

R. Sobierajski, I. Jacyna, P. Dłużewski, M. T. Klepka, D. Klinger, J. B. Pełka, T. Burian, V. Hájková, L. Juha, K. Saksl, V. Vozda, I. Makhotkin, E. Louis, B. Faatz, K. Tiedtke, S. Toleikis, H. Enkisch, M. Hermann, S. Strobel, R. Loch, J. Chalupsky

Optics Express 24 (14), 15468–15477 (2016)

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Journal Article

Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy

Domingos Sérgio R., C. Pérez, C. Medcraft, P. Pinacho, M. Schnell

Physical Chemistry Chemical Physics 18 (25), 16682–16689 (2016)

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Journal Article

The Conformational Map of Volatile Anesthetics: Enflurane Revisited

C. Pérez, E. Caballero-Mancebo, A. Lesarri, E. J. Cocinero, I. Alkorta, R. D. Suenram, J.-U. Grabow, B. H. Pate

Chemistry – A European Journal 22 (28), 9804–9811 (2016)

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Journal Article

Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy

A. Riss, A. P. Paz, S. Wickenburg, H.-Z. Tsai, D. G. D. Oteyza, A. J. Bradley, M. M. Ugeda, P. Gorman, H. S. Jung, M. F. Crommie, A. Rubio, F. R. Fischer

Nature Chemistry 8 (7), 678–683 (2016)

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Journal Article

Electronic and Molecular Structure of the Transient Radical Photocatalyst Mn(CO)₅ and Its Parent Compound Mn₂(CO)₁₀

H. Cho, K. Hong, M. L. Strader, J. H. Lee, R. W. Schoenlein, N. Huse, T. K. Kim

Inorganic Chemistry 55 (12), 5895–5903 (2016)

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Journal Article

Electronic Structure of Low-Dimensional Carbon π-Systems

J. M. Garcia-Lastra, I. Boukahil, R. Qiao, A. Rubio, F. J. Himpsel

The Journal of Physical Chemistry C 120 (23), 12362–12368 (2016)

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Journal Article

Improved ab initio calculation of surface second-harmonic generation from Si(111)(1×1):H

S. M. Anderson, N. Tancogne-Dejean, B. S. Mendoza, V. Véniard

Physical Review B 93 (23), 235304 (2016)

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Journal Article

Stable Dirac semimetal in the allotropes of group-IV elements

W. Cao, P. Tang, S.-C. Zhang, W. Duan, A. Rubio

Physical Review B 93 (24), 241117(R) (2016)

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Journal Article

Nonequilibrium self-energy functional approach to the dynamical Mott transition

F. Hofmann, M. Eckstein, M. Potthoff

Physical Review B 93 (23), 235104 (2016)

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Journal Article

Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory

I. Theophilou, N. N. Lathiotakis, N. Helbig

Journal of Chemical Theory and Computation 12 (6), 2668–2678 (2016)

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Journal Article

K-shell photoionization of Li, Be⁺ and B²⁺

J. Li, J. D. Liu, S. B. Zhang, B. J. Ye

Modern Physics Letters B 30 (15), 1650204 (2016)

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Journal Article

Matter-wave recombiners for trapped Bose-Einstein condensates

T. Berrada, S. van Frank, R. Bücker, T. Schumm, J.-F. Schaff, J. Schmiedmayer, B. Julía-Díaz, A. Polls

Physical Review A 93 (6), 063620 (2016)

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Journal Article

Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr₂IrO₄

M. P. M. Dean, Y. Cao, X. Liu, S. Wall, D. Zhu, R. Mankowsky, V. Thampy, X. M. Chen, J. G. Vale, D. Casa, J. Kim, A. H. Said, P. Juhas, R. Alonso-Mori, J. M. Glownia, A. Robert, J. Robinson, M. Sikorski, S. Song, M. Kozina, H. Lemke, L. Patthey, S. Owada, T. Katayama, M. Yabashi, Y. Tanaka, T. Togashi, J. Liu, C. R. Serrao, B. J. Kim, L. Huber, C.-L. Chang, D. F. McMorrow, M. Först, J. P. Hill

Nature Materials 15 (6), 601–605 (2016)

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Journal Article

Restoring interlayer Josephson coupling in La_1.885Ba_0.115CuO₄ by charge transfer melting of stripe order

V. Khanna, R. Mankowsky, M. Petrich, H. Bromberger, S. A. Cavill, E. Möhr-Vorobeva, D. Nicoletti, Y. Laplace, G. D. Gu, J. P. Hill, M. Först, A. Cavalleri, S. S. Dhesi

Physical Review B 93 (22), 224522 (2016)

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Journal Article

Non-equilibrium control of complex solids by nonlinear phononics

R. Mankowsky, M. Först, A. Cavalleri

Reports on Progress in Physics 79 (6), 064503 (2016)

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Journal Article

Confined linear carbon chains as a route to bulk carbyne

L. Shi, P. Rohringer, K. Suenaga, Y. Niimi, J. Kotakoski, J. C. Meyer, H. Peterlik, M. Wanko, S. Cahangirov, A. Rubio, Z. J. Lapin, L. Novotny, P. Ayala, T. Pichler

Nature Materials 15 (6), 634–639 (2016)

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Journal Article

Subwavelength topological structures resulting from surface two-plasmon resonance by femtosecond laser exposure solid surface

H.-Y. Song, S.-B. Liu, H. Liu, Y. Wang, T. Chen, X.-M. Dong

Optics Express 24 (11), 12151–12165 (2016)

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Journal Article

Thermometry of ultracold atoms via nonequilibrium work distributions

T. H. Johnson, F. Cosco, M. T. Mitchison, D. Jaksch, S. R. Clark

Physical Review A 93 (5), 053619 (2016)

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Journal Article

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials

S. Mukhopadhyay, J. Sun, A. Subedi, T. Siegrist, D. J. Singh

Scientific Reports 6, 25981 (2016)

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Journal Article

Laser-Limited Signatures of Quantum Coherence

R. Tempelaar, A. Halpin, P. J. M. Johnson, J. Cai, R. S. Murphy, J. Knoester, R. J. D. Miller, T. L. C. Jansen

The Journal of Physical Chemistry A 120 (19), 3042–3048 (2016)

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Journal Article

On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment

B. F. Milne, C. Kjær, J. Houmøller, M. H. Stockett, Y. Toker, A. Rubio, S. B. Nielsen

Angewandte Chemie International Edition 55 (21), 6248–6251 (2016)

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Journal Article

Generalized quantum master equations in and out of equilibrium: When can one win?

A. Kelly, A. Montoya-Castillo, L. Wang, T. E. Markland

The Journal of Chemical Physics 144 (18), 184105 (2016)

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D. S. Badali, R. Y. N. Gengler, R. J. D. Miller

Journal Article

Ultrafast electron diffraction optimized for studying structural dynamics in thin films and monolayers

Structural Dynamics 3 (3), 034302 (2016)

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Journal Article

High-Resolution Rotational Spectroscopy Study of the Smallest Sugar Dimer: Interplay of Hydrogen Bonds in the Glycolaldehyde Dimer

S. Zinn, C. Medcraft, T. Betz, M. Schnell

Angewandte Chemie International Edition 55 (20), 5975–5980 (2016)

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Journal Article

The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties

E. Martínez-Periñán, A. de Juan, Y. Pouillon, C. Schierl, V. Strauss, N. Martín, A. Rubio, D. M. Guldi, E. Lorenzo, E. Pérez

Nanoscale 8 (17), 9254–9264 (2016)

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Journal Article

Coupled motion of Xe clusters and quantum vortices in He nanodroplets

C. F. Jones, C. Bernando, R. M. P. Tanyag, C. Bacellar, K. R. Ferguson, L. F. Gomez, D. Anielski, A. Belkacem, R. Boll, J. Bozek, S. Carron, J. Cryan, L. Englert, S. W. Epp, B. Erk, L. Foucar, R. Hartmann, D. M. Neumark, D. Rolles, A. Rudenko, K. R. Siefermann, F. Weise, B. Rudek, F. P. Sturm, J. H. Ullrich, C. Bostedt, O. Gessner, A. F. Vilesov

Physical Review B 93 (18), 180510 (2016)

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Full

Journal Article

Stochastic stimulated electronic x-ray Raman spectroscopy

V. Kimberg, N. Rohringer

Structural Dynamics 3 (3), 034101 (2016)

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Journal Article

Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra

J. Walkenhorst, U. De Giovannini, A. Castro, A. Rubio

European Physical Journal B 89 (5), 128 (2016)

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Journal Article

Numerical study of spectral shaping in high energy Ho:YLF amplifiers

P. Krötz, A. Ruehl, K. Murari, H. Cankaya, F. X. Kärtner, I. Hartl, R. J. D. Miller

Optics Express 24 (9), 9905–9921 (2016)

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Journal Article

Broadband terahertz spectroscopy of the insulator-metal transition driven by coherent lattice deformation at the SmNiO₃/LaAlO₃ interface

W. Hu, S. Catalano, M. Gibert, J.-M. Triscone, A. Cavalleri

Physical Review B 93 (16), 161107 (2016)

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Journal Article

Direct Time-Domain Observation of Conformational Relaxation in Gas-Phase Cold Collisions

G. K. Drayna, C. Hallas, K. Wang, Domingos Sérgio R., S. Eibenberger, J. M. Doyle, D. Patterson

Angewandte Chemie International Edition 55 (16), 4957–4961 (2016)

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Journal Article

How two-dimensional brick layer J-aggregates differ from linear ones: Excitonic properties and line broadening mechanisms

A. Dijkstra, H.-G. Duan, J. Knoester, K. A. Nelson, J. Cao

The Journal of Chemical Physics 144 (13), 134310 (2016)

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Journal Article

Spectral Signatures of Ultrafast Spin Crossover in Single Crystal [Fe^II(bpy)₃](PF₆)₂

R. L. Field, L. C. Liu, W. Gawelda , C. Lu, R. J. D. Miller

Chemistry – A European Journal 22 (15), 5118–5122 (2016)

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Journal Article

Theory of light-enhanced phonon-mediated superconductivity

M. A. Sentef, A. F. Kemper, A. Georges, C. Kollath

Physical Review B 93 (14), 144506 (2016)

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Journal Article

Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism

J. O. Richardson, C. Pérez, S. Lobsiger, A. A. Reid, B. Temelso, G. C. Shields, Z. Kisiel, D. J. Wales, B. H. Pate, S. C. Althorpe

Science 351 (6279), 1310–1313 (2016)

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Journal Article

Charge localization in a diamine cation provides a test of energy functionals and self-interaction correction

X. Cheng, Y. Zhang, E. Jónsson, H. Jónsson, P. M. Weber

Nature Communications 7, 11013 (2016)

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Journal Article

Bilayer SnS₂: Tunable stacking sequence by charging and loading pressure

C. Bacaksiz, S. Cahangirov, A. Rubio, R. T. Senger, F. M. Peeters, H. Sahin

Physical Review B 93 (12), 125403 (2016)

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Journal Article

Intracavity gain shaping in millijoule-level, high gain Ho:YLF regenerative amplifiers

K. Murari, H. Cankaya, P. Krötz, G. Cirmi, P. Li, A. Ruehl, I. Hartl, F. X. Kärtner

Optics Letters 41 (6), 1114–1117 (2016)

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Journal Article

Tracking reaction dynamics in solution by pump–probe X-ray absorption spectroscopy and X-ray liquidography (solution scattering)

J. Kim, K. H. Kim, K. Y. Oang, J. H. Lee, K. Hong, H. Cho, N. Huse, R. W. Schoenlein, T. K. Kim, H. Ihee

Chemical Communications 52 (19), 3734–3749 (2016)

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