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723 Publications
2017 | Journal Article | LibreCat-ID: 7481
Riefer, A., Weber, N., Mund, J., Yakovlev, D. R., Bayer, M., Schindlmayr, A., … Schmidt, W. G. (2017). Zn–VI quasiparticle gaps and optical spectra from many-body calculations. Journal of Physics: Condensed Matter, 29(21). https://doi.org/10.1088/1361-648x/aa6b2a
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2017 | Conference Paper | LibreCat-ID: 8752
Peitz, S., & Dellnitz, M. (2017). Gradient-Based Multiobjective Optimization with Uncertainties. In NEO 2016 (pp. 159–182). Cham. https://doi.org/10.1007/978-3-319-64063-1_7
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2017 | Journal Article | LibreCat-ID: 6552
Bause, F., Claes, L., Webersen, M., Johannesmann, S., & Henning, B. (2017). Viskoelastizität und Anisotropie von Kunststoffen: Ultraschallbasierte Methoden zur Materialparameterbestimmung. Tm - Technisches Messen, 84(3). https://doi.org/10.1515/teme-2016-0056
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2017 | Conference Paper | LibreCat-ID: 6575
Bause, F., Claes, L., Webersen, M., & Henning, B. (2017). Ultrasonic measurements in the characterization of viscoelasticity and aging of polymers. In PROCEEDINGS -- AMA Conferences 2017 (p. 414). https://doi.org/10.5162/sensor2017/C8.1
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2017 | Misc | LibreCat-ID: 6591
Claes, L., Feldmann, N., & Henning, B. (2017). Spektrale Verfahren zur Bestimmung der akustischen Absorption in fluiden Medien. Workshop “Schallfeldbasierte Messverfahren”, Drübeck.
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2017 | Journal Article | LibreCat-ID: 68
Isenberg, T., Platzner, M., Wehrheim, H., & Wiersema, T. (2017). Proof-Carrying Hardware via Inductive Invariants. ACM Transactions on Design Automation of Electronic Systems, (4), 61:1--61:23. https://doi.org/10.1145/3054743
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2017 | Dissertation | LibreCat-ID: 10594 | 
Peitz, S. (2017). Exploiting structure in multiobjective optimization and optimal control. https://doi.org/10.17619/UNIPB/1-176
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2017 | Conference Paper | LibreCat-ID: 11809 |
Heymann, J., Drude, L., Boeddeker, C., Hanebrink, P., & Haeb-Umbach, R. (2017). 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).
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2017 | Journal Article | LibreCat-ID: 15941
Reuter, C., Sauerland, K.-H., & Tröster, T. (2017). Experimental and numerical crushing analysis of circular CFRP tubes under axial impact loading. Composite Structures, 33–44. https://doi.org/10.1016/j.compstruct.2017.04.052
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2017 | Journal Article | LibreCat-ID: 15942
Reuter, C., & Tröster, T. (2017). Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact. Thin-Walled Structures, 117, 1–9. https://doi.org/10.1016/j.tws.2017.03.034
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2017 | Journal Article | LibreCat-ID: 15944
Striewe, J. A., Reuter, C., Sauerland, K.-H., & Tröster, T. (2017). Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites. Thin-Walled Structures, 501–508. https://doi.org/10.1016/j.tws.2017.11.011
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2017 | Dissertation | LibreCat-ID: 16332
Stührenberg, K. (2017). Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen. https://doi.org/10.17619/UNIPB/1-253
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2017 | Conference Paper | LibreCat-ID: 13156
Müller, D., Guericke, S., & Tierney, K. (2017). Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem. In T. Bektac, S. Coniglio, A. Martinez-Sykora, & S. Voß (Eds.), Computational Logistics (pp. 306–320). Cham: Springer International Publishing.
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2017 | Conference Paper | LibreCat-ID: 13157
Ansotegui, C., Pon, J., Sellmann, M., & Tierney, K. (2017). Reactive Dialectic Search Portfolios for MaxSAT. In AAAI (pp. 765–772).
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2017 | Journal Article | LibreCat-ID: 13187
Oppermann, A., Laurini, L., Etscheidt, F., Hollmann, K., Strassl, F., Hoffmann, A., … Herres-Pawlis, S. (2017). Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer. Chemical Engineering \& Technology, 40(8), 1475–1483. https://doi.org/10.1002/ceat.201600691
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2017 | Journal Article | LibreCat-ID: 13200
Gruzberg, I., Klümper, A., Nuding, W., & Sedrakyan, A. (2017). Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions. Phys. Rev. B, 95, 125414. https://doi.org/10.1103/PhysRevB.95.125414
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2017 | Journal Article | LibreCat-ID: 13238
Lücke, A., Gerstmann, U., Kühne, T. D., & Schmidt, W. G. (2017). Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition. Journal of Computational Chemistry, 38(26), 2276–2282. https://doi.org/10.1002/jcc.24878
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2017 | Journal Article | LibreCat-ID: 13239
Azadi, Sam , & Kühne, T. D. (2017). High-pressure hydrogen sulfide by diffusion quantum Monte Carlo. The Journal of Chemical Physics, 146(8), 084503. https://doi.org/10.1063/1.4976836
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2017 | Journal Article | LibreCat-ID: 13242
Ellerbrock, R., & Manthe, U. (2017). H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces. Chemical Physics, 482, 106–112. https://doi.org/10.1016/j.chemphys.2016.08.032
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2017 | Journal Article | LibreCat-ID: 13276
Rutkai, G., Köster, A., Guevara-Carrion, G., Janzen, T., Schappals, M., Glass, C. W., … Vrabec, J. (2017). ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0. Computer Physics Communications, 221, 343–351. https://doi.org/10.1016/j.cpc.2017.07.025
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2017 | Journal Article | LibreCat-ID: 13277
Köster, A., Mausbach, P., & Vrabec, J. (2017). Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential. The Journal of Chemical Physics, 147(14), 144502. https://doi.org/10.1063/1.4990667
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2017 | Journal Article | LibreCat-ID: 13278
Fingerhut, R., Chen, W.-L., Schedemann, A., Cordes, W., Rarey, J., Hsieh, C.-M., … Lin, S.-T. (2017). Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria. Industrial & Engineering Chemistry Research, 56(35), 9868–9884. https://doi.org/10.1021/acs.iecr.7b01360
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2017 | Journal Article | LibreCat-ID: 13279
Schappals, M., Mecklenfeld, A., Kröger, L., Botan, V., Köster, A., Stephan, S., … Hasse, H. (2017). Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. Journal of Chemical Theory and Computation, 13(9), 4270–4280. https://doi.org/10.1021/acs.jctc.7b00489
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2017 | Journal Article | LibreCat-ID: 13280
Muñoz-Muñoz, Y. M., Hsieh, C.-M., & Vrabec, J. (2017). Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms. The Journal of Physical Chemistry B, 121(21), 5374–5384. https://doi.org/10.1021/acs.jpcb.7b02494
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2017 | Journal Article | LibreCat-ID: 13281
Rutkai, G., Thol, M., Span, R., & Vrabec, J. (2017). How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases? Molecular Physics, 115(9–12), 1104–1121. https://doi.org/10.1080/00268976.2016.1246760
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2017 | Journal Article | LibreCat-ID: 13290
Bouldi, N., Vollmers, N. J., Delpy-Laplanche, C. G., Joly, Y., Juhin, A., Sainctavit, P., … Gerstmann, U. (2017). X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra. Physical Review B, 96(8), 085123. https://doi.org/10.1103/physrevb.96.085123
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2017 | Journal Article | LibreCat-ID: 13353
Lewandowski, P., Luk, S. M. H., Chan, C. K. P., Leung, P. T., Kwong, N. H., Binder, R., & Schumacher, S. (2017). Directional optical switching and transistor functionality using optical parametric oscillation in a spinor polariton fluid. Optics Express, 25(25). https://doi.org/10.1364/oe.25.031056
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2017 | Journal Article | LibreCat-ID: 13354
Luk, S. M. H., Kwong, N. H., Lewandowski, P., Schumacher, S., & Binder, R. (2017). Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum Fluid. Physical Review Letters, 119(11). https://doi.org/10.1103/physrevlett.119.113903
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2017 | Journal Article | LibreCat-ID: 13360
Wiebeler, C., Plasser, F., Hedley, G. J., Ruseckas, A., Samuel, I. D. W., & Schumacher, S. (2017). Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad. The Journal of Physical Chemistry Letters, 1086–1092. https://doi.org/10.1021/acs.jpclett.7b00089
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2017 | Journal Article | LibreCat-ID: 13361
Lafont, O., Luk, S. M. H., Lewandowski, P., Kwong, N. H., Leung, P. T., Galopin, E., … Binder, R. (2017). Controlling the optical spin Hall effect with light. Applied Physics Letters. https://doi.org/10.1063/1.4975681
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2017 | Journal Article | LibreCat-ID: 13364
Kwong, N. H., Tsang, C. Y., Luk, S. M. H., Tse, Y. C., Chan, C. K. P., Lewandowski, P., … Binder, R. (2017). Optical switching of polariton density patterns in a semiconductor microcavity. Physica Scripta. https://doi.org/10.1088/1402-4896/aa58f6
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2017 | Journal Article | LibreCat-ID: 13412
Konieczna, D. D., Biller, H., Witte, M., Schmidt, W. G., Neuba, A., & Wilhelm, R. (2017). New pyridinium based ionic dyes for the hydrogen evolution reaction. Tetrahedron, 142–149. https://doi.org/10.1016/j.tet.2017.11.053
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2017 | Journal Article | LibreCat-ID: 13414
Riefer, A., & Schmidt, W. G. (2017). Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides. Physical Review B, 96(23). https://doi.org/10.1103/physrevb.96.235206
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2017 | Journal Article | LibreCat-ID: 13415
Braun, C., Hogan, C., Chandola, S., Esser, N., Sanna, S., & Schmidt, W. G. (2017). Si(775)-Au atomic chains: Geometry, optical properties, and spin order. Physical Review Materials, 1(5). https://doi.org/10.1103/physrevmaterials.1.055002
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2017 | Journal Article | LibreCat-ID: 13416 |
Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory. Physical Review Materials, 1(5). https://doi.org/10.1103/PhysRevMaterials.1.054406
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2017 | Journal Article | LibreCat-ID: 13417
Lücke, A., Gerstmann, U., Kühne, T. D., & Schmidt, W. G. (2017). Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition. Journal of Computational Chemistry, 2276–2282. https://doi.org/10.1002/jcc.24878
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| DOI
2017 | Journal Article | LibreCat-ID: 13418
Sanna, S., & Schmidt, W. G. (2017). LiNbO3 surfaces from a microscopic perspective. Journal of Physics: Condensed Matter. https://doi.org/10.1088/1361-648x/aa818d
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2017 | Journal Article | LibreCat-ID: 13419
Frigge, T., Hafke, B., Witte, T., Krenzer, B., Streubühr, C., Samad Syed, A., … Schmidt, W. G. (2017). Optically excited structural transition in atomic wires on surfaces at the quantum limit. Nature, 544, 207–211. https://doi.org/10.1038/nature21432
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2017 | Journal Article | LibreCat-ID: 13420
Nozaki, D., & Schmidt, W. G. (2017). Current density analysis of electron transport through molecular wires in open quantum systems. Journal of Computational Chemistry, 38, 1685–1692. https://doi.org/10.1002/jcc.24812
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2017 | Journal Article | LibreCat-ID: 13421
Landmann, M., Rauls, E., & Schmidt, W. G. (2017). 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, 95(15). https://doi.org/10.1103/physrevb.95.155310
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2017 | Journal Article | LibreCat-ID: 13422
Witte, M., Rohrmüller, M., Gerstmann, U., Henkel, G., Schmidt, W. G., & Herres-Pawlis, S. (2017). [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus. Journal of Computational Chemistry, 1752–1761. https://doi.org/10.1002/jcc.24798
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2017 | Journal Article | LibreCat-ID: 13423
Tebi, S., Paszkiewicz, M., Aldahhak, H., Allegretti, F., Gonglach, S., Haas, M., … Müllegger, S. (2017). On-Surface Site-Selective Cyclization of Corrole Radicals. ACS Nano, 3383–3391. https://doi.org/10.1021/acsnano.7b00766
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2017 | Journal Article | LibreCat-ID: 13424
Aldahhak, H., Paszkiewicz, M., Allegretti, F., Duncan, D. A., Tebi, S., Deimel, P. S., … Gerstmann, U. (2017). X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization. The Journal of Physical Chemistry C, 121, 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935
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2017 | Journal Article | LibreCat-ID: 13425
Rohrmüller, M., Schmidt, W. G., & Gerstmann, U. (2017). Electron paramagnetic resonance calculations for hydrogenated Si surfaces. Physical Review B, 95(12). https://doi.org/10.1103/physrevb.95.125310
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2017 | Journal Article | LibreCat-ID: 13426
Edler, F., Miccoli, I., Stöckmann, J. P., Pfnür, H., Braun, C., Neufeld, S., … Tegenkamp, C. (2017). Tuning the conductivity along atomic chains by selective chemisorption. Physical Review B, 95(12). https://doi.org/10.1103/physrevb.95.125409
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2017 | Journal Article | LibreCat-ID: 13427
Nozaki, D., Lücke, A., & Schmidt, W. G. (2017). 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, 727–732. https://doi.org/10.1021/acs.jpclett.6b02989
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2017 | Journal Article | LibreCat-ID: 10020
Landmann, M., Rauls, E., & Schmidt, W. G. (2017). 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. https://doi.org/10.1103/physrevb.95.155310
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2017 | Journal Article | LibreCat-ID: 10021 |
Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. Physical Review Materials, 1(3). https://doi.org/10.1103/PhysRevMaterials.1.034401
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2017 | Journal Article | LibreCat-ID: 10023 |
Schmidt, F., Landmann, M., Rauls, E., Argiolas, N., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2017). Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory. Advances in Materials Science and Engineering, 2017. https://doi.org/10.1155/2017/3981317
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2017 | Journal Article | LibreCat-ID: 13803
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., … Baroni, S. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter, 29(46). https://doi.org/10.1088/1361-648x/aa8f79
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