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723 Publications


2017 | Journal Article | LibreCat-ID: 7481
A. Riefer et al., “Zn–VI quasiparticle gaps and optical spectra from many-body calculations,” Journal of Physics: Condensed Matter, vol. 29, no. 21, 2017.
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2017 | Conference Paper | LibreCat-ID: 8752
S. Peitz and M. Dellnitz, “Gradient-Based Multiobjective Optimization with Uncertainties,” in NEO 2016, 2017, pp. 159–182.
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2017 | Journal Article | LibreCat-ID: 6552
F. Bause, L. Claes, M. Webersen, S. Johannesmann, and B. Henning, “Viskoelastizität und Anisotropie von Kunststoffen: Ultraschallbasierte Methoden zur Materialparameterbestimmung,” tm - Technisches Messen, vol. 84, no. 3, 2017.
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2017 | Conference Paper | LibreCat-ID: 6575
F. Bause, L. Claes, M. Webersen, and B. Henning, “Ultrasonic measurements in the characterization of viscoelasticity and aging of polymers,” in PROCEEDINGS -- AMA Conferences 2017, 2017, p. 414.
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2017 | Misc | LibreCat-ID: 6591
L. Claes, N. Feldmann, and B. Henning, Spektrale Verfahren zur Bestimmung der akustischen Absorption in fluiden Medien. Workshop “Schallfeldbasierte Messverfahren”, Drübeck, 2017.
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2017 | Journal Article | LibreCat-ID: 68
T. Isenberg, M. Platzner, H. Wehrheim, and T. Wiersema, “Proof-Carrying Hardware via Inductive Invariants,” ACM Transactions on Design Automation of Electronic Systems, no. 4, pp. 61:1--61:23, 2017.
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2017 | Dissertation | LibreCat-ID: 10594 | OA
S. Peitz,   Exploiting structure in multiobjective optimization and optimal control. 2017.
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2017 | Conference Paper | LibreCat-ID: 11809 | OA
J. Heymann, L. Drude, C. Boeddeker, P. Hanebrink, and R. Haeb-Umbach, “BEAMNET: End-to-End Training of a Beamformer-Supported Multi-Channel ASR System,” in Proc. IEEE Intl. Conf. on Acoustics, Speech and Signal Processing (ICASSP), 2017.
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2017 | Journal Article | LibreCat-ID: 15941
C. Reuter, K.-H. Sauerland, and T. Tröster, “Experimental and numerical crushing analysis of circular CFRP tubes under axial impact loading,” Composite Structures, pp. 33–44, 2017.
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2017 | Journal Article | LibreCat-ID: 15942
C. Reuter and T. Tröster, “Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact,” Thin-Walled Structures, vol. 117, pp. 1–9, 2017.
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2017 | Journal Article | LibreCat-ID: 15944
J. A. Striewe, C. Reuter, K.-H. Sauerland, and T. Tröster, “Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites,” Thin-Walled Structures, pp. 501–508, 2017.
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2017 | Dissertation | LibreCat-ID: 16332
K. Stührenberg, Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen. 2017.
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2017 | Conference Paper | LibreCat-ID: 13156
D. Müller, S. Guericke, and K. Tierney, “Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem,” in Computational Logistics, 2017, pp. 306–320.
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2017 | Conference Paper | LibreCat-ID: 13157
C. Ansotegui, J. Pon, M. Sellmann, and K. Tierney, “Reactive Dialectic Search Portfolios for MaxSAT.,” in AAAI, 2017, pp. 765–772.
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2017 | Journal Article | LibreCat-ID: 13187
A. Oppermann et al., “Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer,” Chemical Engineering \& Technology, vol. 40, no. 8, pp. 1475–1483, 2017.
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2017 | Journal Article | LibreCat-ID: 13200
I. Gruzberg, A. Klümper, W. Nuding, and A. Sedrakyan, “Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions,” Phys. Rev. B, vol. 95, p. 125414, 2017.
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2017 | Journal Article | LibreCat-ID: 13238
A. Lücke, U. Gerstmann, T. D. Kühne, and W. G. Schmidt, “Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition,” Journal of Computational Chemistry, vol. 38, no. 26, pp. 2276–2282, 2017.
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2017 | Journal Article | LibreCat-ID: 13239
Sam Azadi and T. D. Kühne, “High-pressure hydrogen sulfide by diffusion quantum Monte Carlo,” The Journal of Chemical Physics, vol. 146, no. 8, p. 084503, 2017.
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2017 | Journal Article | LibreCat-ID: 13242
R. Ellerbrock and U. Manthe, “H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces,” Chemical Physics, vol. 482, pp. 106–112, 2017.
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2017 | Journal Article | LibreCat-ID: 13276
G. Rutkai et al., “ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0,” Computer Physics Communications, vol. 221, pp. 343–351, 2017.
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2017 | Journal Article | LibreCat-ID: 13277
A. Köster, P. Mausbach, and J. Vrabec, “Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential,” The Journal of Chemical Physics, vol. 147, no. 14, p. 144502, 2017.
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2017 | Journal Article | LibreCat-ID: 13278
R. Fingerhut et al., “Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria,” Industrial & Engineering Chemistry Research, vol. 56, no. 35, pp. 9868–9884, 2017.
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2017 | Journal Article | LibreCat-ID: 13279
M. Schappals et al., “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom,” Journal of Chemical Theory and Computation, vol. 13, no. 9, pp. 4270–4280, 2017.
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2017 | Journal Article | LibreCat-ID: 13280
Y. M. Muñoz-Muñoz, C.-M. Hsieh, and J. Vrabec, “Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms,” The Journal of Physical Chemistry B, vol. 121, no. 21, pp. 5374–5384, 2017.
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2017 | Journal Article | LibreCat-ID: 13281
G. Rutkai, M. Thol, R. Span, and J. Vrabec, “How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?,” Molecular Physics, vol. 115, no. 9–12, pp. 1104–1121, 2017.
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2017 | Journal Article | LibreCat-ID: 13290
N. Bouldi et al., “X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra,” Physical Review B, vol. 96, no. 8, p. 085123, 2017.
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2017 | Journal Article | LibreCat-ID: 13353
P. Lewandowski et al., “Directional optical switching and transistor functionality using optical parametric oscillation in a spinor polariton fluid,” Optics Express, vol. 25, no. 25, 2017.
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2017 | Journal Article | LibreCat-ID: 13354
S. M. H. Luk, N. H. Kwong, P. Lewandowski, S. Schumacher, and R. Binder, “Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum Fluid,” Physical Review Letters, vol. 119, no. 11, 2017.
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2017 | Journal Article | LibreCat-ID: 13360
C. Wiebeler, F. Plasser, G. J. Hedley, A. Ruseckas, I. D. W. Samuel, and S. Schumacher, “Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad,” The Journal of Physical Chemistry Letters, pp. 1086–1092, 2017.
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2017 | Journal Article | LibreCat-ID: 13361
O. Lafont et al., “Controlling the optical spin Hall effect with light,” Applied Physics Letters, 2017.
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2017 | Journal Article | LibreCat-ID: 13364
N. H. Kwong et al., “Optical switching of polariton density patterns in a semiconductor microcavity,” Physica Scripta, 2017.
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2017 | Journal Article | LibreCat-ID: 13412
D. D. Konieczna, H. Biller, M. Witte, W. G. Schmidt, A. Neuba, and R. Wilhelm, “New pyridinium based ionic dyes for the hydrogen evolution reaction,” Tetrahedron, pp. 142–149, 2017.
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2017 | Journal Article | LibreCat-ID: 13414
A. Riefer and W. G. Schmidt, “Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides,” Physical Review B, vol. 96, no. 23, 2017.
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2017 | Journal Article | LibreCat-ID: 13415
C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, and W. G. Schmidt, “Si(775)-Au atomic chains: Geometry, optical properties, and spin order,” Physical Review Materials, vol. 1, no. 5, 2017.
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2017 | Journal Article | LibreCat-ID: 13416 | OA
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 5, 2017.
LibreCat | Files available | DOI | WoS
 

2017 | Journal Article | LibreCat-ID: 13417
A. Lücke, U. Gerstmann, T. D. Kühne, and W. G. Schmidt, “Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition,” Journal of Computational Chemistry, pp. 2276–2282, 2017.
LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 13418
S. Sanna and W. G. Schmidt, “LiNbO3 surfaces from a microscopic perspective,” Journal of Physics: Condensed Matter, 2017.
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2017 | Journal Article | LibreCat-ID: 13419
T. Frigge et al., “Optically excited structural transition in atomic wires on surfaces at the quantum limit,” Nature, vol. 544, pp. 207–211, 2017.
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2017 | Journal Article | LibreCat-ID: 13420
D. Nozaki and W. G. Schmidt, “Current density analysis of electron transport through molecular wires in open quantum systems,” Journal of Computational Chemistry, vol. 38, pp. 1685–1692, 2017.
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2017 | Journal Article | LibreCat-ID: 13421
M. Landmann, E. Rauls, and W. G. Schmidt, “Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites,” Physical Review B, vol. 95, no. 15, 2017.
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2017 | Journal Article | LibreCat-ID: 13422
M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W. G. Schmidt, and S. Herres-Pawlis, “[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus,” Journal of Computational Chemistry, pp. 1752–1761, 2017.
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2017 | Journal Article | LibreCat-ID: 13423
S. Tebi et al., “On-Surface Site-Selective Cyclization of Corrole Radicals,” ACS Nano, pp. 3383–3391, 2017.
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2017 | Journal Article | LibreCat-ID: 13424
H. Aldahhak et al., “X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization,” The Journal of Physical Chemistry C, vol. 121, pp. 2192–2200, 2017.
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2017 | Journal Article | LibreCat-ID: 13425
M. Rohrmüller, W. G. Schmidt, and U. Gerstmann, “Electron paramagnetic resonance calculations for hydrogenated Si surfaces,” Physical Review B, vol. 95, no. 12, 2017.
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2017 | Journal Article | LibreCat-ID: 13426
F. Edler et al., “Tuning the conductivity along atomic chains by selective chemisorption,” Physical Review B, vol. 95, no. 12, 2017.
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2017 | Journal Article | LibreCat-ID: 13427
D. Nozaki, A. Lücke, and W. G. Schmidt, “Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing,” The Journal of Physical Chemistry Letters, pp. 727–732, 2017.
LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 10020
M. Landmann, E. Rauls, and W. G. Schmidt, “Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites,” Physical Review B, 2017.
LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 10021 | OA
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 3, 2017.
LibreCat | Files available | DOI | WoS
 

2017 | Journal Article | LibreCat-ID: 10023 | OA
F. Schmidt et al., “Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory,” Advances in Materials Science and Engineering, vol. 2017, 2017.
LibreCat | Files available | DOI | WoS
 

2017 | Journal Article | LibreCat-ID: 13803
P. Giannozzi et al., “Advanced capabilities for materials modelling with Quantum ESPRESSO,” Journal of Physics: Condensed Matter, vol. 29, no. 46, 2017.
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