Publications

Journal Article

Wetting Camphor: Multi-Isotopic Substitution Identifies the Complementary Roles of Hydrogen Bonding and Dispersive Forces

C. Pérez, A. Krin, A. L. Steber, J. C. López, Z. Kisiel, M. Schnell

The Journal of Physical Chemistry Letters 7 (1), 154–160 (2016)

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Journal Article

Connecting structure, dynamics and viscosity in sheared soft colloidal liquids: a medley of anisotropic fluctuations

F. Westermeier, D. Pennicard, H. Hirsemann, U. H. Wagner, C. Rau, H. Graafsma, P. Schall, M. P. Lettinga, B. Struth

Soft Matter 12 (1), 171–180 (2016)

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Journal Article

Stroboscopic prethermalization in weakly interacting periodically driven systems

E. Canovi, M. Kollar, M. Eckstein

Physical Review E 93 (1), 012130 (2016)

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Journal Article

Structural dynamics: general discussion

P. Decleva, A. Orr-Ewing, M. Kowalewski, O. Kornilov, J. P. Marangos, H. J. Wörner, A. S. Johnson, R. Forbes, D. Rolles, D. Townsend, O. Schalk, S. Mai, T. J. Penfold, R. J. D. Miller, M. Centurion, K. Ueda, W. Domcke, P. M. Weber, K. K. Baeck, O. Travnikova, C. Liekhus-Schmaltz, J. A. P. Nunes, N. D. M. Neumark, O. Gessner, A. Stolow, A. Rudenko, P. K. Mishra, A. Kirrander, D. Dowek, F. Martín, A. Vibók, M. P. Minitti, B. Stankus, C. Burger

Faraday Discussions 194, 583–620 (2016)

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Journal Article

Stimulated X-ray Raman scattering – a critical assessment of the building block of nonlinear X-ray spectroscopy

V. Kimberg, A. Sanchez-Gonzalez, L. Mercadier, C. Weninger, A. Lutman, D. Ratner, R. N. Coffee, M. Bucher, M. Mucke, M. Agåker, C. Såthe, C. Bostedt, J. Nordgren, J.-E. Rubensson, N. Rohringer

Faraday Discussions 194, 305–324 (2016)

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Journal Article

A Comparative Study of Two Bicyclic Ethers, Eucalyptol and 1,4-Cineole, by Broadband Rotational Spectroscopy

C. Medcraft, M. Schnell

Zeitschrift für Physikalische Chemie: International Journal of Research in Physical Chemistry and Chemical Physics 230 (1), 1–14 (2016)

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Journal Article

Ultrafast imaging of photochemical dynamics: roadmap to a new conceptual basis for chemistry

R. J. D. Miller

Faraday Discussions 194, 777–828 (2016)

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Journal Article

Vibrational and condensed phase dynamics: general discussion

A. J. Orr-Ewing, O. Kornilov, T. I. Sølling, T. Keane, M. P. Minitti, H. J. Wörner, O. Schalk, G. M. Roberts, R. S. Minns, C. J. Milne, L. Miseikis, T. J. Penfold, R. J. D. Miller, W. Domcke, M. Centurion, K. Ueda, P. M. Weber, O. Gessner, D. M. Neumark, A. Stolow, J. Yano, S. Mukamel, V. G. Stavros

Faraday Discussions 194, 747–775 (2016)

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2015

Journal Article

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

X. Andrade, D. A. Strubbe, U. De Giovannini, A. H. Larsen, M. J. T. Oliveira, J. Alberdi-Rodriguez, A. Varas, I. Theophilou, N. Helbig, M. Verstraete, L. Stella, F. Nogueira, A. Aspuru-Guzik, A. Castro, M. A. L. Marques, A. Rubio

Physical Chemistry Chemical Physics 17 (47), 31371–31396 (2015)

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Journal Article

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

N. Säkkinen, Y. Peng, H. Appel, R. van Leeuwen

The Journal of Chemical Physics 143 (23), 234102 (2015)

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Journal Article

Direct observation of collective modes coupled to molecular orbital–driven charge transfer

T. Ishikawa, S. Hayes, S. Keskin, G. Corthey, M. Hada, K. Pichugin, A. Marx, J. Hirscht, K. Shionuma, K. Onda, Y. Okimoto, S.-ya Koshihara, T. Yamamoto, H. Cui, M. Nomura, Y. Oshima, M. Abdel-Jawad, R. Kato, R. J. D. Miller

Science 350 (6267), 1501–1505 (2015)

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Journal Article

Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

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

Proceedings of the National Academy of Sciences of the United States of America 112 (50), 15285–15290 (2015)

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Journal Article

Ambient Mass Spectrometry Imaging with Picosecond Infrared Laser Ablation Electrospray Ionization (PIR-LAESI)

J. Zou, F. Talbot, A. Tata, L. Ermini, K. Franjic, M. Ventura, J. Zheng, H. Ginsberg, M. Post, D. R. Ifa, D. Jaffray, R. J. D. Miller, A. Zarrine-Afsar

Analytical Chemistry 87 (24), 12071–12079 (2015)

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Journal Article

Optical field terahertz amplitude modulation by graphene nanoribbons

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

Nanoscale 7 (45), 19012–19017 (2015)

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Journal Article

Local vibrational coherences drive the primary photochemistry of vision

P. J. M. Johnson, A. Halpin, T. Morizumi, V. Prokhorenko, O. P. Ernst, R. J. D. Miller

Nature Chemistry 7 (12), 980–986 (2015)

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Journal Article

Overcoming bifurcation instability in high-repetition-rate Ho:YLF regenerative amplifiers

P. Krötz, A. Ruehl, G. Chatterjee, A.-L. Calendron, K. Murari, H. Cankaya, P. Li, F. X. Kärtner, I. Hartl, R. J. D. Miller

Optics Letters 40 (23), 5427–5430 (2015)

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Journal Article

Beyond the Hubbard bands in strongly correlated lattice bosons

H. U. R. Strand, M. Eckstein, P. Werner

Physical Review A 92 (6), 063602 (2015)

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Journal Article

Proposal for ultrafast switching of ferroelectrics using midinfrared pulses

A. Subedi

Physical Review B 92 (21), 214303 (2015)

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Journal Article

Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?

J. Houmøller, M. Wanko, A. Rubio, S. B. Nielsen

The Journal of Physical Chemistry A 119 (47), 11498–11503 (2015)

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Journal Article

Visualization of Multimerization and Self-Assembly of DNA-Functionalized Gold Nanoparticles Using In-Liquid Transmission Electron Microscopy

S. Keskin, S. Besztejan, G. Kassier, S. Manz, R. Bücker, S. Riekeberg, H. K. Trieu, A. Rentmeister, R. J. D. Miller

The Journal of Physical Chemistry Letters 6 (22), 4487–4492 (2015)

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Journal Article

Element-Specific Characterization of Transient Electronic Structure of Solvated Fe(II) Complexes with Time-Resolved Soft X-ray Absorption Spectroscopy

K. Hong, H. Cho, R. W. Schoenlein, T. K. Kim, N. Huse

Accounts of Chemical Research 48 (11), 2957–2966 (2015)

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Journal Article

Elucidating the Structure of Chiral Molecules by using Amplified Vibrational Circular Dichroism: From Theory to Experimental Realization

Domingos Sérgio R., F. Hartl, W. J. Buma, S. Woutersen

ChemPhysChem 16 (16), 3363–3373 (2015)

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Journal Article

Dynamics of screening in photodoped Mott insulators

D. Golež, M. Eckstein, P. Werner

Physical Review B 92 (19), 195123 (2015)

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Journal Article

Exciton recombination in one-dimensional organic Mott insulators

Z. Lenarčič, M. Eckstein, P. Prelovšek

Physical Review B 92 (20), 201104(R) (2015)

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Journal Article

Stabilization of magnetic helix in exchange-coupled thin films

L. V. Dzemiantsova, G. Meier, R. Röhlsberger

Scientific Reports 5, 16153 (2015)

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Journal Article

If You Can Get a Crystal Structure, Why Bother with Anything Else?

A. R. Pearson, D. von Stetten, N. Huse

Synchrotron Radiation News 28 (6), 10–14 (2015)

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Journal Article

Comparing XMCD and DFT with STM spin excitation spectroscopy for Fe and Co adatoms on Cu₂N/Cu(100)

M. Etzkorn, C. F. Hirjibehedin, A. Lehnert, S. Ouazi, S. Rusponi, S. Stepanow, P. Gambardella, C. Tieg, P. Thakur, A. I. Lichtenstein, A. B. Shick, S. Loth, A. J. Heinrich, H. Brune

Physical Review B 92 (18), 184406 (2015)

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Journal Article

Total correlations of the diagonal ensemble herald the many-body localization transition

J. Goold, C. Gogolin, S. R. Clark, J. Eisert, A. Scardicchio, A. Silva

Physical Review B 92 (18), 180202(R) (2015)

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Journal Article

Engineering Photophenomena in Large, 3D Structures Composed of Self-Assembled van der Waals Heterostructure Flakes

M. B. M. Krishna, M. K. L. Man, S. Vinod, C. Chin, T. Harada, J. Taha-Tijerina, C. S. Tiwary, P. Nguyen, P. Chang, T. N. Narayanan, A. Rubio, P. M. Ajayan, S. Talapatra, K. M. Dani

Advanced Optical Materials 3 (11), 1551–1556 (2015)

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Journal Article

A modular and compact portable mini-endstation for high-precision, high-speed fixed target serial crystallography at FEL and synchrotron sources

D. A. Sherrell, A. J. Foster, L. Hudson, B. Nutter, J. O'Hea, S. Nelson, O. Paré-Labrosse, S. Oghbaey, R. J. D. Miller, R. L. Owena

Journal of Synchrotron Radiation 22 (6), 1372–1378 (2015)

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Journal Article

Strong-coupling electron-phonon superconductivity in noncentrosymmetric quasi-one-dimensional K₂Cr₃As₃

A. Subedi

Physical Review B 92 (17), 174501 (2015)

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Journal Article

THz-Frequency Modulation of the Hubbard U in an Organic Mott Insulator

R. Singla, G. Cotugno, S. Kaiser, M. Först, M. Mitrano, H. Liu, A. Cartella, C. Manzoni, H. Okamoto, T. Hasegawa, S. R. Clark, D. Jaksch, A. Cavalleri

Physical Review Letters 115 (18), 187401 (2015)

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Journal Article

Insights into colour-tuning of chlorophyll optical response in green plants

J. Jornet-Somoza, J. Alberdi-Rodriguez, B. F. Milne, X. Andrade, M. A. L. Marques, F. Nogueira, M. J. T. Oliveira, J. J. P. Stewart, A. Rubio

Physical Chemistry Chemical Physics 17 (40), 26599–26606 (2015)

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Journal Article

The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions

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

Physical Chemistry Chemical Physics 17 (39), 25793–25798 (2015)

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Journal Article

The strength of electron electron correlation in Cs₃C₆₀

L. Baldassarre, A. Perucchi, M. Mitrano, D. Nicoletti, C. Marini, D. Pontiroli, M. Mazzani, M. Aramini, M. Riccó, G. Giovannetti, M. Capone, S. Lupi

Scientific Reports 5, 15240 (2015)

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Journal Article

Communication: X-ray coherent diffractive imaging by immersion in nanodroplets

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

Structural Dynamics 2 (5), 051102 (2015)

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Journal Article

Terahertz-driven linear electron acceleration

E. A. Nanni, W. R. Huang, K.-H. Hong, K. Ravi, A. Fallahi, G. Moriena, R. J. D. Miller, F. X. Kärtner

Nature Communications 6, 8486 (2015)

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Journal Article

Efficient tool to calculate two-dimensional optical spectra for photoactive molecular complexes

H.-G. Duan, A. Dijkstra, P. Nalbach, M. Thorwart

Physical Review E 92 (4), 042708 (2015)

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S. B. Zhang, N. Rohringer

Journal Article

Quantum-beat Auger spectroscopy

Physical Review A 92 (4), 043420 (2015)

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Journal Article

Nonthermal Melting of Néel Order in the Hubbard Model

K. Balzer, F. A. Wolf, I. P. McCulloch, P. Werner, M. Eckstein

Physical Review X 5 (3), 031039 (2015)

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Journal Article

Ultrafast optical modification of exchange interactions in iron oxides

R. V. Mikhaylovskiy, E. Hendry, A. Secchi, J. H. Mentink, M. Eckstein, A. Wu, R. V. Pisarev, V. V. Kruglyak, M. I. Katsnelson, T. Rasing, A. V. Kimel

Nature Communications 6, 8190 (2015)

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Journal Article

Magnetic fingerprint of individual Fe₄ molecular magnets under compression by a scanning tunnelling microscope

J. A. J. Burgess, L. Malavolti, V. Lanzilotto, M. Mannini, S. Yan, S. Ninova, F. Totti, S. Rolf-Pissarczyk, A. Cornia, R. Sessoli, S. Loth

Nature Communications 6, 8216 (2015)

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Journal Article

Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complex II at Ambient Temperature: A Joint Experimental and Theoretical Study

H.-G. Duan, A. Stevens, P. Nalbach, M. Thorwart, V. Prokhorenko, R. J. D. Miller

The Journal of Physical Chemistry B 119 (36), 12017–12027 (2015)

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Journal Article

Glucanocellulosic ethanol: the undiscovered biofuel potential in energy crops and marine biomass

C. Falter, C. Zwikowics, D. Eggert, A. Blümke, M. Naumann, K. Wolff, D. Ellinger, R. Reimer, C. A. Voigt

Scientific Reports 5, 13722 (2015)

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Journal Article

Supraleitung bei Raumtemperatur

R. Mankowsky

Physik in Unserer Zeit 46 (5), 238–244 (2015)

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A. Picchiotti, V. Prokhorenko, R. J. D. Miller

Journal Article

A closed-loop pump-driven wire-guided flow jet for ultrafast spectroscopy of liquid samples

Review of Scientific Instruments 86 (9), 093105 (2015)

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Journal Article

Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory

C. Pellegrini, J. Flick, I. V. Tokatly, H. Appel, A. Rubio

Physical Review Letters 115 (9), 093001 (2015)

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Journal Article

Spatially resolved ultrafast magnetic dynamics initiated at a complex oxide heterointerface

M. Först, A. D. Caviglia, R. Scherwitzl, R. Mankowsky, P. Zubko, V. Khanna, H. Bromberger, S. B. Wilkins, Y.-D. Chuang, W. S. Lee, W. F. Schlotter, J. J. Turner, G. L. Dakovski, M. P. Minitti, J. Robinson, S. R. Clark, D. Jaksch, J.-M. Triscone, J. P. Hill, S. S. Dhesi, A. Cavalleri

Nature Materials 14 (9), 883–888 (2015)

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post-print

Journal Article

Tracking Primary Thermalization Events in Graphene with Photoemission at Extreme Time Scales

I. Gierz, F. Calegari, S. Aeschlimann, M. Chavez Cervantes, C. Cacho, R. T. Chapman, E. Springate, S. Link, U. Starke, C. R. Ast, A. Cavalleri

Physical Review Letters 115 (8), 086803 (2015)

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