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725 Publications


2013 | Journal Article | LibreCat-ID: 13819
A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations,” Ferroelectrics, vol. 447, pp. 78–85, 2013.
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2013 | Journal Article | LibreCat-ID: 15871
H. Liu, S. Schumacher, and T. Meier, “Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields,” Physical Review B, vol. 88, no. 3, Art. no. 035429, 2013, doi: 10.1103/physrevb.88.035429.
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2013 | Journal Article | LibreCat-ID: 13520
S. Sanna et al., “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals,” Ferroelectrics, vol. 447, no. 1, pp. 63–68, 2013, doi: 10.1080/00150193.2013.821893.
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2014 | Journal Article | LibreCat-ID: 15861
H. Riesen, C. Wiebeler, and S. Schumacher, “Optical Spectroscopy of Graphene Quantum Dots: The Case of C132,” The Journal of Physical Chemistry A, pp. 5189–5195, 2014.
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2014 | Journal Article | LibreCat-ID: 15862
C. Wiebeler and S. Schumacher, “Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type,” The Journal of Physical Chemistry A, pp. 7816–7823, 2014.
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2014 | Conference Paper | LibreCat-ID: 15865
P. Lewandowski et al., “Formation and control of transverse patterns in a quantum fluid of microcavity polaritons,” in Ultrafast Phenomena and Nanophotonics XVIII, 2014.
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2014 | Conference Paper | LibreCat-ID: 13154
T. Graf and M. Platzner, “Common Fate Graph Patterns in Monte Carlo Tree Search for Computer Go,” in 2014 IEEE Conference on Computational Intelligence and Games, 2014, pp. 1–8.
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2014 | Journal Article | LibreCat-ID: 10035
Y. Li, S. Sanna, and W. G. Schmidt, “Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model,” The Journal of Chemical Physics, 2014.
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2014 | Journal Article | LibreCat-ID: 10036
R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” The Journal of Physical Chemistry C, pp. 10213–10220, 2014.
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2014 | Journal Article | LibreCat-ID: 13508
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt, “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,” The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014.
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2014 | Journal Article | LibreCat-ID: 13509
D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations,” Physical Review B, vol. 90, no. 15, 2014.
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2014 | Journal Article | LibreCat-ID: 13510
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II),” Journal of Computational Chemistry, vol. 35, no. 29–30, pp. 2146–2161, 2014.
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2014 | Journal Article | LibreCat-ID: 13511
M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, 2014.
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2014 | Journal Article | LibreCat-ID: 13513
U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba splitting and relativistic energy shifts in In/Si(111) nanowires,” Physical Review B, vol. 89, no. 16, 2014.
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2014 | Journal Article | LibreCat-ID: 13515
S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” Applied Surface Science, pp. 70–78, 2014.
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2014 | Journal Article | LibreCat-ID: 13516
S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory,” Physical Review B, vol. 89, no. 7, 2014.
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2014 | Journal Article | LibreCat-ID: 15863
J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, and H.-S. Kitzerow, “Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties,” Chemistry - A European Journal, pp. 12026–12031, 2014, doi: 10.1002/chem.201403287.
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2014 | Journal Article | LibreCat-ID: 22955
R. Driben and T. Meier, “Nonlinear dynamics of Airy-vortex 3D wave packets: emission of vortex light waves,” Optics Letters, vol. 39, no. 19, pp. 5539–5542, 2014, doi: 10.1364/ol.39.005539.
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2014 | Journal Article | LibreCat-ID: 22954
R. Driben, V. V. Konotop, and T. Meier, “Coupled Airy breathers,” Optics Letters, vol. 39, no. 19, pp. 5523–5526, 2014, doi: 10.1364/ol.39.005523.
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2014 | Journal Article | LibreCat-ID: 15864
H. Liu, S. Schumacher, and T. Meier, “Influence of Coulomb-induced band couplings on linear excitonic absorption spectra of semiconducting carbon nanotubes,” Physical Review B, vol. 89, no. 15, Art. no. 155407, 2014, doi: 10.1103/physrevb.89.155407.
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2014 | Journal Article | LibreCat-ID: 22958
R. Driben and T. Meier, “Regeneration of Airy pulses in fiber-optic links with dispersion management of the two leading dispersion terms of opposite signs,” Physical Review A, vol. 89, no. 4, Art. no. 043817, 2014, doi: 10.1103/physreva.89.043817.
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2015 | Journal Article | LibreCat-ID: 23965
M. Piper, A. Zibart, J. M. Tran, and E. Y. Kenig, “Numerical investigation of turbulent forced convection heat transfer in pillow plates,” International Journal of Heat and Mass Transfer, pp. 516–527, 2015.
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2015 | Conference Abstract | LibreCat-ID: 23974
A. Zibart, R. Cherkezova, H. Figge, and E. Kenig, “Optimierung der Kühlung eines On-Board-Ladegeräts für elektrisch betriebene Kraftfahrzeuge mithilfe der CFD-Methoden,” presented at the Jahrestreffen der ProcessNet-Fachgemeinschaft Fluiddynamik und Trenntechnik, Bamberg, 2015.
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2015 | Journal Article | LibreCat-ID: 15857
D. Di Nuzzo et al., “How intermolecular geometrical disorder affects the molecular doping of donor–acceptor copolymers,” Nature Communications, 2015.
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2015 | Journal Article | LibreCat-ID: 15858
Y. C. Tse et al., “A population-competition model for analyzing transverse optical patterns including optical control and structural anisotropy,” New Journal of Physics, 2015.
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2015 | Journal Article | LibreCat-ID: 15859
J. Schmutzler et al., “All-optical flow control of a polariton condensate using nonresonant excitation,” Physical Review B, 2015.
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2015 | Journal Article | LibreCat-ID: 15860
J.-C. Denis et al., “Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory,” The Journal of Physical Chemistry C, pp. 9734–9744, 2015.
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2015 | Conference Paper | LibreCat-ID: 16136
C. Reuter, T. Tröster, and C. Lauter, “Kennwertermittlung an Faserverbundkunststoffen für Crashsimulationen mit dem FE-Solver LS-Dyna,” presented at the Tagung Werkstoffprüfung 2015, Tagung Werkstoffprüfung 2015, Bad Neuenahr, 2015, pp. 127–132.
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2015 | Journal Article | LibreCat-ID: 16331
C. Wilfer et al., “Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex,” Chemistry - A European Journal, pp. 17639–17649, 2015.
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2015 | Conference Paper | LibreCat-ID: 13153
T. Graf and M. Platzner, “Adaptive Playouts in Monte-Carlo Tree Search with Policy-Gradient Reinforcement Learning,” in Advances in Computer Games: 14th International Conference, ACG 2015, Leiden, The Netherlands, July 1-3, 2015, Revised Selected Papers, 2015, pp. 1–11.
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2015 | Journal Article | LibreCat-ID: 13199
W. Nuding, A. Klümper, and A. Sedrakyan, “Localization Length Index and Subleading Corrections in a Chalker-Coddington Model: A Numerical Study,” Physical Review B, vol. 91, p. 115107, 2015.
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2015 | Journal Article | LibreCat-ID: 10027
M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” Physical Review B, 2015.
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2015 | Journal Article | LibreCat-ID: 10029
C. Braun, S. Sanna, and W. G. Schmidt, “Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces,” The Journal of Physical Chemistry C, pp. 9342–9346, 2015.
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2015 | Journal Article | LibreCat-ID: 10030
M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” Journal of Physics: Condensed Matter, vol. 27, no. 38, 2015.
LibreCat | Files available | DOI | WoS | PubMed | Europe PMC
 

2015 | Journal Article | LibreCat-ID: 10031
Y. Li, W. G. Schmidt, and S. Sanna, “Defect complexes in congruentLiNbO3and their optical signatures,” Physical Review B, 2015.
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2015 | Journal Article | LibreCat-ID: 10033
S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” Computational Materials Science, pp. 145–150, 2015.
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2015 | Journal Article | LibreCat-ID: 13493
S. Müllegger et al., “Mechanism for nuclear and electron spin excitation by radio frequency current,” Physical Review B, vol. 92, no. 22, 2015.
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2015 | Journal Article | LibreCat-ID: 13494
H. Aldahhak, W. G. Schmidt, and E. Rauls, “Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces,” Surface Science, pp. 278–281, 2015.
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2015 | Journal Article | LibreCat-ID: 13495
H. Aldahhak, E. Rauls, and W. G. Schmidt, “Diindenoperylene adsorption on Cu(111) studied with density-functional theory,” Surface Science, pp. 260–265, 2015.
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2015 | Journal Article | LibreCat-ID: 13496
F. Edler et al., “Interwire coupling forIn(4×1)/Si(111) probed by surface transport,” Physical Review B, vol. 92, no. 8, 2015.
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2015 | Journal Article | LibreCat-ID: 13497
A. Baghbanpourasl et al., “Water adsorbate influence on the Cu(110) surface optical response,” Surface Science, vol. 641, pp. 231–236, 2015.
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2015 | Journal Article | LibreCat-ID: 13498
M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†,” Journal of Computational Chemistry, vol. 36, no. 21–22, pp. 1672–1685, 2015.
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2015 | Journal Article | LibreCat-ID: 13500
A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT,” The Journal of Physical Chemistry B, vol. 119, pp. 6481–6491, 2015.
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2015 | Journal Article | LibreCat-ID: 13502
C. Klein et al., “Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films,” Physical Review B, vol. 91, no. 19, 2015.
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2015 | Journal Article | LibreCat-ID: 13504
S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” Computational Materials Science, vol. 103, pp. 145–150, 2015.
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2015 | Journal Article | LibreCat-ID: 13507
M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” Physical Review B, vol. 91, 2015.
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2015 | Journal Article | LibreCat-ID: 13818
A. Neuba, M. Rohrmüller, R. Hölscher, W. G. Schmidt, and G. Henkel, “A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry,” Inorganica Chimica Acta, vol. 430, pp. 225–238, 2015.
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2015 | Journal Article | LibreCat-ID: 13935
R. Driben, T. Meier, and B. A. Malomed, “Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity,” Scientific Reports, vol. 5, Art. no. 9420, 2015, doi: 10.1038/srep09420.
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2015 | Journal Article | LibreCat-ID: 13922
H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.
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2015 | Journal Article | LibreCat-ID: 22946
H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.
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