Publications

Journal Article

Negative plasmon dispersion in 2H-NbS₂ beyond the charge-density-wave interpretation

P. Cudazzo, E. Müller, C. Habenicht, M. Gatti, H. Berger, M. Knupfer, A. Rubio, S. Huotari

New Journal of Physics 18 (10), 103050 (2016)

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Journal Article

Time-resolved single dopant charge dynamics in silicon

M. Rashidi, J. A. J. Burgess, M. Taucer, R. Achal, J. L. Pitters, S. Loth, R. A. Wolkow

Nature Communications 7, 13258 (2016)

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Journal Article

Water-Induced Structural Changes in Crown Ethers from Broadband Rotational Spectroscopy

C. Pérez, J. C. López, S. Blanco, M. Schnell

The Journal of Physical Chemistry Letters 7 (20), 4053–4058 (2016)

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Journal Article

Electronic-structural dynamics in graphene

I. Gierz, A. Cavalleri

Structural Dynamics 3 (5), 051301 (2016)

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Journal Article

Controllable vacuum-induced diffraction of matter-wave superradiance using an all-optical dispersive cavity

S.-W. Su, Z.-K. Lu, S.-C. Gou, W.-T. Liao

Scientific Reports 6, 35402 (2016)

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Journal Article

Stable monolayer honeycomb-like structures of RuX₂ (X=S, Se)

F. Ersan, S. Cahangirov, G. Gökoğlu, A. Rubio, E. Aktürk

Physical Review B 94 (15), 155415 (2016)

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Full

Journal Article

Synchronised photoreversion of spirooxazine ring opening in thin crystals to uncover ultrafast dynamics

K. M. Siddiqui, G. Corthey, S. A. Hayes, A. Rossos, D. S. Badali, R. Xian, R. S. Murphy, B. J. Whitaker, R. J. D. Miller

CrystEngComm 18 (38), 7212–7216 (2016)

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Journal Article

Aromatic embedding wins over classical hydrogen bonding – a multi-spectroscopic approach for the diphenyl ether–methanol complex

C. Medcraft, S. Zinn, M. Schnell, A. Poblotzki, J. Altnöder, M. Heger, M. A. Suhm, D. Bernhard, A. Stamm, F. Dietrich, M. Gerhards

Physical Chemistry Chemical Physics 18 (37), 25975–25983 (2016)

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Journal Article

The elusive ≡C-H⋯O complex in the hydrogen bonded systems of Phenylacetylene: A Matrix Isolation Infrared and Ab Initio Study

G. Karir, M. Fatima, K. S. Viswanathan

Journal of Chemical Sciences 128 (10), 1557–1569 (2016)

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D. Nicoletti, A. Cavalleri

Journal Article

Nonlinear light–matter interaction at terahertz frequencies

Advances in Optics and Photonics 8 (3), 401–464 (2016)

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post-print

Journal Article

Synthesis of Bidimensional Prussian Blue Analogue Using an Inverted Langmuir–Schaefer Method

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

Langmuir 32 (38), 9706–9713 (2016)

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Journal Article

The Challenge of Thermal Deposition of Coordination Compounds: Insight into the Case of an Fe4 Single Molecule Magnet

V. Lanzilotto, L. Malavolti, S. Ninova, I. Cimatti, L. Poggini, B. Cortigiani, M. Mannini, F. Totti, A. Cornia, R. Sessoli

Chemistry of Materials 28 (21), 7693–7702 (2016)

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Journal Article

Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer

D. Pierucci, T. Brumme, J.-C. Girard, M. Calandra, M. G. Silly, F. Sirotti, A. Barbier, F. Mauri, A. Ouerghi

Scientific Reports 6, 33487 (2016)

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Journal Article

Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

J. M. Kreula, S. R. Clark, D. Jaksch

Scientific Reports 6, 32940 (2016)

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Journal Article

Quantum plasmonics: from jellium models to ab initio calculations

A. Varas, P. García-González, J. Feist, F. J. García-Vidal, A. Rubio

Nanophotonics 5 (3), 409–426 (2016)

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Journal Article

Impact of Vibrational Coherence on the Quantum Yield at a Conical Intersection

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

The Journal of Physical Chemistry Letters 7 (17), 3491–3496 (2016)

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Journal Article

AXSIS: Exploring the frontiers in attosecond X-ray science, imaging and spectroscopy

F. X. Kärtner, F. Ahr, A.-L. Calendron, H. Çankaya, S. Carbajo, G. Chang, G. Cirmi, K. Dörner, U. Dorda, A. Fallahi, A. Hartin, M. Hemmer, R. Hobbs, Y. Hua, W. R. Huang, R. Letrun, N. Matlis, V. Mazalova, O. D. Mücke, E. Nanni, W. Putnam, K. Ravi, F. Reichert, I. Sarrou, X. Wu, A. Yahaghi, H. Ye, L. Zapata, D. Zhang, C. Zhou, R. J. D. Miller, K. K. Berggren, H. Graafsma, A. Meents, R. W. Assmann, H. N. Chapman, P. Fromme

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 829, 24–29 (2016)

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Journal Article

Noncovalent Dimerization after Enediyne Cyclization on Au(111)

D. G. de Oteyza, A. P. Paz, Y.-C. Chen, Z. Pedramrazi, A. Riss, S. Wickenburg, H.-Z. Tsai, F. R. Fischer, M. F. Crommie, A. Rubio

Journal of the American Chemical Society 138 (34), 10963–10967 (2016)

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Journal Article

Optical fiber-based photocathode

A. Casandruc, R. Bücker, G. Kassier, R. J. D. Miller

Applied Physics Letters 109 (9), 091105 (2016)

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Journal Article

Slowdown of the Electronic Relaxation Close to the Mott Transition

S. Sayyad, M. Eckstein

Physical Review Letters 117 (9), 096403 (2016)

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Journal Article

Time-dependent density functional theory beyond Kohn–Sham Slater determinants

J. I. Fuks, S. E. B. Nielsen, M. Ruggenthaler, N. T. Maitra

Physical Chemistry Chemical Physics 18 (31), 20976–20985 (2016)

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Journal Article

Systematic construction of density functionals based on matrix product state computations

M. Lubasch, J. I. Fuks, H. Appel, A. Rubio, J. I. Cirac, M.-C. Bañuls

New Journal of Physics 18 (8), 083039 (2016)

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Journal Article

Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes

D. J. Mowbray, A. Pérez Paz, G. Ruiz-Soria, M. Sauer, P. Lacovig, M. Dalmiglio, S. Lizzit, K. Yanagi, A. Goldoni, P. Ayala, T. Pichler, A. Rubio

The Journal of Physical Chemistry C 120 (32), 18316–18322 (2016)

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Journal Article

Structural and magnetic properties of FeMn_x chains (x=1–6) supported on Cu₂N / Cu (100)

D.-J. Choi, R. Robles, J.-P. Gauyacq, M. Ternes, S. Loth, N. Lorente

Physical Review B 94 (8), 085406 (2016)

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Journal Article

Special issue on imaging the dynamic structure of matter

H. Schwoerer, H. N. Chapman, B. J. Siwick, R. J. D. Miller

Journal of Physics B: Atomic, Molecular and Optical Physics 49 (15), 150201 (2016)

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Journal Article

Theoretical Study of the Photophysics of 8-Vinylguanine, an Isomorphic Fluorescent Analogue of Guanine

M. Kochman, M. Pola, R. J. D. Miller

The Journal of Physical Chemistry A 120 (31), 6200–6215 (2016)

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Journal Article

Nanoscale Structure, Dynamics, and Aging Behavior of Metallic Glass Thin Films

J. A. J. Burgess, C. M. B. Holt, E. J. Luber, D. C. Fortin, G. Popowich, B. Zahiri, P. Concepcion, D. Mitlin, M. R. Freeman

Scientific Reports 6, 30973 (2016)

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Journal Article

Few-qubit quantum-classical simulation of strongly correlated lattice fermions

J. M. Kreula, L. García-Álvarez, L. Lamata, S. R. Clark, E. Solano, D. Jaksch

EPJ Quantum Technology 3, 11 (2016)

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Journal Article

The adiabatic limit of the exact factorization of the electron-nuclear wave function

F. G. Eich, F. Agostini

The Journal of Chemical Physics 145 (5), 054110 (2016)

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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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