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720 Publications
1999 | Book Chapter | LibreCat-ID: 2435
Simon, J., Reinefeld, A., & Heinz, O. (1999). Large-Scale SCI Clusters in Practice: Architecture and Performance in SCI. In H. Hellwagner & A. Reinefeld (Eds.), SCI: Scalable Coherent Interface. Architecture and Software for High-Performance Compute Clusters (Vol. 1734, pp. 367–381). Berlin / Heidelberg: Springer. https://doi.org/10.1007/10704208
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| DOI
2002 | Journal Article | LibreCat-ID: 13736
Schmidt, W. G., Bechstedt, F., Lu, W., & Bernholc, J. (2002). Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001). Physical Review B, 66, 0855334. https://doi.org/10.1103/physrevb.66.085334
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| DOI
2005 | Journal Article | LibreCat-ID: 15849
Schumacher, S., Czycholl, G., Jahnke, F., Kudyk, I., Rückmann, H. I., Gutowski, J., … Hommel, D. (2005). Polariton propagation in shallow-confinement heterostructures: Microscopic theory and experiment showing the breakdown of the dead-layer concept. Physical Review B. https://doi.org/10.1103/physrevb.70.235340
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| DOI
2005 | Journal Article | LibreCat-ID: 15850
Schumacher, S., Czycholl, G., Jahnke, F., Kudyk, I., Wischmeier, L., Rückmann, I., … Hommel, D. (2005). Coherent propagation of polaritons in semiconductor heterostructures: Nonlinear pulse transmission in theory and experiment. Physical Review B. https://doi.org/10.1103/physrevb.72.081308
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| DOI
2006 | Journal Article | LibreCat-ID: 15848
Schulz, S., Schumacher, S., & Czycholl, G. (2006). Tight-binding model for semiconductor quantum dots with a wurtzite crystal structure: From one-particle properties to Coulomb correlations and optical spectra. Physical Review B. https://doi.org/10.1103/physrevb.73.245327
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| DOI
2006 | Journal Article | LibreCat-ID: 13684
Letzig, T., Willig, F., Hahn, P. H., & Schmidt, W. G. (2006). Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface. Physical Review B, 74(24). https://doi.org/10.1103/physrevb.74.245307
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| DOI
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg, S., & Schmidt, W. G. (2006). Adsorption of phenylglycine on copper: Density functional calculations. Physical Review B, 74(15). https://doi.org/10.1103/physrevb.74.155419
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| DOI
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder, C., Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2006). Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Physical Review B, 74(4). https://doi.org/10.1103/physrevb.74.045422
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| DOI
2006 | Journal Article | LibreCat-ID: 13691
Biering, S., Hermann, A., & Schmidt, W. G. (2006). Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions. Physical Review B, 73(23). https://doi.org/10.1103/physrevb.73.235429
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| DOI
2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., & Schmidt, W. G. (2007). Ethanol adsorbed on ice: A first-principles study. Physical Review B, 76(19). https://doi.org/10.1103/physrevb.76.195426
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| DOI
2007 | Journal Article | LibreCat-ID: 13678
Blankenburg, S., & Schmidt, W. G. (2007). Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer. Physical Review Letters, 99(19). https://doi.org/10.1103/physrevlett.99.196107
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| DOI
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg, S., & Schmidt, W. G. (2007). Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110). Nanotechnology, 18. https://doi.org/10.1088/0957-4484/18/42/424030
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| DOI
2007 | Journal Article | LibreCat-ID: 13681
Wippermann, S., Schmidt, W. G., Calzolari, A., Nardelli, M. B., Stekolnikov, A. A., Seino, K., & Bechstedt, F. (2007). Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science, 4045–4047. https://doi.org/10.1016/j.susc.2007.04.053
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| DOI
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov, A. A., Seino, K., Bechstedt, F., Wippermann, S., Schmidt, W. G., Calzolari, A., & Nardelli, M. B. (2007). Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance. Physical Review Letters, 98(2). https://doi.org/10.1103/physrevlett.98.026105
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| DOI
2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., & Schmidt, W. G. (2008). Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science, 603, 247–250. https://doi.org/10.1016/j.susc.2008.11.013
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| DOI
2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., & Schmidt, W. G. (2008). Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B, 78(23). https://doi.org/10.1103/physrevb.78.235439
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| DOI
2008 | Journal Article | LibreCat-ID: 13667
Blankenburg, S., & Schmidt, W. G. (2008). Spatial modulation of molecular adsorption energies due to indirect interaction. Physical Review B, 78. https://doi.org/10.1103/physrevb.78.233411
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| DOI
2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., & Schmidt, W. G. (2008). Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C, 112, 11490–11494. https://doi.org/10.1021/jp8037297
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| DOI
2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., Dijkstra, S. J., & Schmidt, W. G. (2008). Atomic structure and energetics of thec-GaN(001) surface. Physical Review B, 78(11). https://doi.org/10.1103/physrevb.78.113302
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| DOI
2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., Blankenburg, S., & Schmidt, W. G. (2008). DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science, 602, 2170–2174. https://doi.org/10.1016/j.susc.2008.04.029
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| DOI
2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., Schmidt, W. G., & Schwerdtfeger, P. (2008). Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters, 100(20). https://doi.org/10.1103/physrevlett.100.207403
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| DOI
2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2008). Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter, 20. https://doi.org/10.1088/0953-8984/20/22/225003
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| DOI
2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., Koch, N., & Schmidt, W. G. (2008). Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters, 100(10). https://doi.org/10.1103/physrevlett.100.106802
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| DOI
2008 | Journal Article | LibreCat-ID: 13675
Lange, B., & Schmidt, W. G. (2008). Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science, 602, 1207–1211. https://doi.org/10.1016/j.susc.2008.01.024
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| DOI
2008 | Journal Article | LibreCat-ID: 13676
Schmidt, W. G., Albrecht, M., Wippermann, S., Blankenburg, S., Rauls, E., Fuchs, F., … Hermann, A. (2008). LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B, 77. https://doi.org/10.1103/physrevb.77.035106
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| DOI
2009 | Journal Article | LibreCat-ID: 15847
Kwong, N. H., Schumacher, S., & Binder, R. (2009). Electron-Spin Beat Susceptibility of Excitons in Semiconductor Quantum Wells. Physical Review Letters. https://doi.org/10.1103/physrevlett.103.056405
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). The physics of highly ordered molecular rows. Physica Status Solidi (C), 153–156. https://doi.org/10.1002/pssc.200982459
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). The physics of highly ordered molecular rows. Physica Status Solidi (C), 7(2), 153–156. https://doi.org/10.1002/pssc.200982459
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13578
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2009). Ab initioinvestigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 145–148. https://doi.org/10.1002/pssc.200982456
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2009). Ab initioinvestigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 7(2), 145–148. https://doi.org/10.1002/pssc.200982456
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13580
Wippermann, S., Schmidt, W. G., Thissen, P., & Grundmeier, G. (2009). Dissociative and molecular adsorption of water onα-Al2O3(0001). Physica Status Solidi (C), 7(2), 137–140. https://doi.org/10.1002/pssc.200982423
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., & Gerstmann, U. (2009). Vacancy clusters created via room temperature irradiation in 6H-SiC. Physica B: Condensed Matter, 404, 4742–4744. https://doi.org/10.1016/j.physb.2009.08.123
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| DOI
2009 | Journal Article | LibreCat-ID: 13655
Thissen, P., Grundmeier, G., Wippermann, S., & Schmidt, W. G. (2009). Water adsorption on the α-Al2O3(0001) surface. Physical Review B, 80(24). https://doi.org/10.1103/physrevb.80.245403
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| DOI
2009 | Journal Article | LibreCat-ID: 13657
Sanna, S., Schmidt, W. G., Frauenheim, T., & Gerstmann, U. (2009). Rare-earth defect pairs in GaN: LDA+U calculations. Physical Review B, 80(10). https://doi.org/10.1103/physrevb.80.104120
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| DOI
2009 | Journal Article | LibreCat-ID: 13659
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures. The Journal of Physical Chemistry C, 113, 12653–12657. https://doi.org/10.1021/jp902337p
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| DOI
2009 | Journal Article | LibreCat-ID: 13660
Chandola, S., Hinrichs, K., Gensch, M., Esser, N., Wippermann, S., Schmidt, W. G., … McGilp, J. F. (2009). Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response. Physical Review Letters, 102(22). https://doi.org/10.1103/physrevlett.102.226805
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S., & Schmidt, W. G. (2009). Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter, 21. https://doi.org/10.1088/0953-8984/21/18/185001
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13664
Lange, B., Posner, R., Pohl, K., Thierfelder, C., Grundmeier, G., Blankenburg, S., & Schmidt, W. G. (2009). Water adsorption on hydrogenated Si(111) surfaces. Surface Science, 603, 60–64. https://doi.org/10.1016/j.susc.2008.10.030
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., Rauls, E., & Schmidt, W. G. (2009). First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B, 79(4). https://doi.org/10.1103/physrevb.79.045412
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| DOI
2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter, 21(39). https://doi.org/10.1088/0953-8984/21/39/395502
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 15846
Schumacher, S., Galbraith, I., Ruseckas, A., Turnbull, G. A., & Samuel, I. D. W. (2010). Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach. Physical Review B. https://doi.org/10.1103/physrevb.81.245407
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| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, C., Sanna, S., Schindlmayr, A., & Schmidt, W. G. (2010). Do we know the band gap of lithium niobate? Physica Status Solidi C, 7(2), 362–365. https://doi.org/10.1002/pssc.200982473
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2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, U., Rohrmüller, M., Mauri, F., & Schmidt, W. G. (2010). Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces. Physica Status Solidi (C), 7(2), 157–160. https://doi.org/10.1002/pssc.200982462
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| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., Schmidt, W. G., Bechstedt, F., Chandola, S., Hinrichs, K., Gensch, M., … McGilp, J. F. (2010). Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. Physica Status Solidi (C), 7(2), 133–136. https://doi.org/10.1002/pssc.200982413
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| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2010). Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization. The Journal of Physical Chemistry Letters, 1, 3266–3270. https://doi.org/10.1021/jz101389u
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., & Schmidt, W. G. (2010). Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array. Physical Review Letters, 105(12). https://doi.org/10.1103/physrevlett.105.126102
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| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A. V., Sanna, S., & Schmidt, W. G. (2010). First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2). Computational Materials Science, 49(4), 895–898. https://doi.org/10.1016/j.commatsci.2010.06.043
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| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., Wiebe, J., & Schmidt, W. G. (2010). Understanding the cubic AlN growth plane from first principles. Journal of Crystal Growth, 312, 2892–2895. https://doi.org/10.1016/j.jcrysgro.2010.07.027
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| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., & Schmidt, W. G. (2010). First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111). Physical Review B, 82(11). https://doi.org/10.1103/physrevb.82.115402
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| DOI
2010 | Journal Article | LibreCat-ID: 13833
Sanna, S., & Schmidt, W. G. (2010). Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory. Physical Review B, 81(21). https://doi.org/10.1103/physrevb.81.214116
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| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna, S., & Schmidt, W. G. (2010). GaN/LiNbO3 (0001) interface formation calculated from first-principles. Applied Surface Science, 256, 5740–5743. https://doi.org/10.1016/j.apsusc.2010.03.098
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., Blankenburg, S., & Schmidt, W. G. (2010). Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111). Physical Review B, 81(12). https://doi.org/10.1103/physrevb.81.125401
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13838
Sanna, S., & Schmidt, W. G. (2010). GaN growth on LiNbO3 (0001) - a first-principles simulation. Physica Status Solidi (C), 7(7–8), 2272–2274. https://doi.org/10.1002/pssc.200983649
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13839
Blankenburg, S., & Schmidt, W. G. (2010). Temperature dependent stability of self-assembled molecular rows. Physica Status Solidi (C), 7(2), 415–417. https://doi.org/10.1002/pssc.200982460
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13841
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2010). The physics of highly ordered molecular rows. Physica Status Solidi (C), 7(2), 153–156. https://doi.org/10.1002/pssc.200982459
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2010). Ab initio investigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 7(2), 145–148. https://doi.org/10.1002/pssc.200982456
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
Wippermann, S., Schmidt, W. G., Thissen, P., & Grundmeier, G. (2010). Dissociative and molecular adsorption of water onα-Al2O3(0001). Physica Status Solidi (C), 7(2), 137–140. https://doi.org/10.1002/pssc.200982423
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 4169
Priyadarshi, S., Racu, A. M., Pierz, K., Siegner, U., Bieler, M., Duc, H. T., Förstner, J., & Meier, T. (2010). Reversal of Coherently Controlled Ultrafast Photocurrents by Band Mixing in Undoped GaAs Quantum Wells. Physical Review Letters, 104(21), Article 217401. https://doi.org/10.1103/physrevlett.104.217401
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| Files available
| DOI
2010 | Journal Article | LibreCat-ID: 4172 | 
Piegdon, K. A., Declair, S., Förstner, J., Meier, T., Matthias, H., Urbanski, M., Kitzerow, H.-S., Reuter, D., Wieck, A. D., Lorke, A., & Meier, C. (2010). Tuning quantum-dot based photonic devices with liquid crystals. Optics Express, 18(8), Article 7946. https://doi.org/10.1364/oe.18.007946
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| Files available
| DOI
2011 | Journal Article | LibreCat-ID: 13563
Schmidt, W. G., Babilon, M., Thierfelder, C., Sanna, S., & Wippermann, S. (2011). Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array. Physical Review B, 84(11). https://doi.org/10.1103/physrevb.84.115416
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| DOI
2011 | Journal Article | LibreCat-ID: 13564
dos Santos, L. S., Schmidt, W. G., & Rauls, E. (2011). Group-VII point defects in ZnSe. Physical Review B, 84(11). https://doi.org/10.1103/physrevb.84.115201
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13565
Müllegger, S., Schöfberger, W., Rashidi, M., Lengauer, T., Klappenberger, F., Diller, K., … Koch, R. (2011). Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System. ACS Nano, 5(8), 6480–6486. https://doi.org/10.1021/nn201708c
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13568
Mietze, C., Landmann, M., Rauls, E., Machhadani, H., Sakr, S., Tchernycheva, M., … As, D. J. (2011). Band offsets in cubic GaN/AlN superlattices. Physical Review B, 83(19). https://doi.org/10.1103/physrevb.83.195301
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger, S., Rashidi, M., Lengauer, T., Rauls, E., Schmidt, W. G., Knör, G., … Koch, R. (2011). Asymmetric saddling of single porphyrin molecules on Au(111). Physical Review B, 83(16). https://doi.org/10.1103/physrevb.83.165416
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| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder, C., Witte, M., Blankenburg, S., Rauls, E., & Schmidt, W. G. (2011). Methane adsorption on graphene from first principles including dispersion interaction. Surface Science, 605, 746–749. https://doi.org/10.1016/j.susc.2011.01.012
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| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., & Schmidt, W. G. (2011). Vibrational properties of the LiNbO3 z-surfaces. IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, 58(9), 1751–1756. https://doi.org/10.1109/tuffc.2011.2012
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| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna, S., Thierfelder, C., Wippermann, S., Sinha, T. P., & Schmidt, W. G. (2011). Barium titanate ground- and excited-state properties from first-principles calculations. Physical Review B, 83(5). https://doi.org/10.1103/physrevb.83.054112
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| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., & Schmidt, W. G. (2011). Localised Phonon Modes at LiNbO3(0001) Surfaces. Ferroelectrics, 419(1), 1–8. https://doi.org/10.1080/00150193.2011.594396
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| DOI
2012 | Journal Article | LibreCat-ID: 15869
Wiebeler, C., Tautz, R., Feldmann, J., von Hauff, E., Da Como, E., & Schumacher, S. (2012). Spectral Signatures of Polarons in Conjugated Co-polymers. The Journal of Physical Chemistry B, 4454–4460. https://doi.org/10.1021/jp3084869
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| DOI
2012 | Journal Article | LibreCat-ID: 15872
Montgomery, N. A., Hedley, G. J., Ruseckas, A., Denis, J.-C., Schumacher, S., Kanibolotsky, A. L., … Samuel, I. D. W. (2012). Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules. Physical Chemistry Chemical Physics. https://doi.org/10.1039/c2cp24141b
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| DOI
2012 | Conference Paper | LibreCat-ID: 15985
Reuter, C., Frantz, M., Lauter, C., Block, H., & Tröster, T. (2012). Simulation and testing of hybrid structures consisting of press-hardened steel and CFRP. Presented at the 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy.
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2012 | Conference Paper | LibreCat-ID: 15987
Lauter, C., Frantz, M., Kohler, J. P., & Tröster, T. (2012). Crash tests of hybrid structures consisting of sheet metal and local CFRP reinforcements. Presented at the 15th European Conference on Composite Materials (ECCM15), Venice, Italy.
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2012 | Journal Article | LibreCat-ID: 13531
Schmidt, C., Breuer, T., Wippermann, S., Schmidt, W. G., & Witte, G. (2012). Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. The Journal of Physical Chemistry C, 116, 24098–24106. https://doi.org/10.1021/jp307316r
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| DOI
2012 | Journal Article | LibreCat-ID: 13534
Wall, S., Krenzer, B., Wippermann, S., Sanna, S., Klasing, F., Hanisch-Blicharski, A., … Horn-von Hoegen, M. (2012). Atomistic Picture of Charge Density Wave Formation at Surfaces. Physical Review Letters, 109(18). https://doi.org/10.1103/physrevlett.109.186101
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| DOI
2012 | Journal Article | LibreCat-ID: 13535
Sanna, S., & Schmidt, W. G. (2012). Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics. IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, 59(9), 1925–1928. https://doi.org/10.1109/tuffc.2012.2408
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13536
Riefer, A., Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2012). Linear and nonlinear optical response of LiNbO3 calculated from first principles. IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, 59(9), 1929–1933. https://doi.org/10.1109/tuffc.2012.2409
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13538
Riefer, A., Sanna, S., & Schmidt, W. G. (2012). Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces. Physical Review B, 86(12). https://doi.org/10.1103/physrevb.86.125410
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13539
Rode, S., Hölscher, R., Sanna, S., Klassen, S., Kobayashi, K., Yamada, H., … Kühnle, A. (2012). Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy. Physical Review B, 86(7). https://doi.org/10.1103/physrevb.86.075468
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13541
Landmann, M., Köhler, T., Köppen, S., Rauls, E., Frauenheim, T., & Schmidt, W. G. (2012). Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2. Physical Review B, 86(6). https://doi.org/10.1103/physrevb.86.064201
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13543
Rauls, E., Schmidt, W. G., Pertram, T., & Wandelt, K. (2012). Interplay between metal-free phthalocyanine molecules and Au(110) substrates. Surface Science, 606, 1120–1125. https://doi.org/10.1016/j.susc.2012.03.010
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
Landmann, M., Rauls, E., & Schmidt, W. G. (2012). The electronic structure and optical response of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter, 24. https://doi.org/10.1088/0953-8984/24/19/195503
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13546
Riefer, A., Rauls, E., Schmidt, W. G., Eberhard, J., Stoll, I., & Mattay, J. (2012). 2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response. Physical Review B, 85(16). https://doi.org/10.1103/physrevb.85.165202
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13548
Thissen, P., Thissen, V., Wippermann, S., Chabal, Y. J., Grundmeier, G., & Schmidt, W. G. (2012). pH-dependent structure and energetics of H2O/MgO(100). Surface Science, 606, 902–907. https://doi.org/10.1016/j.susc.2012.01.018
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13560
Hölscher, R., Sanna, S., & Schmidt, W. G. (2012). Adsorption of OH and H at the LiNbO3(0001) surface. Physica Status Solidi (C), 9(6), 1361–1365. https://doi.org/10.1002/pssc.201100534
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13820
Schmidt, W. G., Wippermann, S., Sanna, S., Babilon, M., Vollmers, N. J., & Gerstmann, U. (2012). In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition. Physica Status Solidi (B), 249(2), 343–359. https://doi.org/10.1002/pssb.201100457
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 3974 |
Schumacher, S., Förstner, J., Zrenner, A., Florian, M., Gies, C., Gartner, P., & Jahnke, F. (2012). Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting. Optics Express, 20(5), 5335–5342. https://doi.org/10.1364/oe.20.005335
LibreCat
| Files available
| DOI
2012 | Journal Article | LibreCat-ID: 22953
Reichelt, M., Walther, A., & Meier, T. (2012). Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping. Journal of the Optical Society of America B, 29(2), Article A36. https://doi.org/10.1364/josab.29.000a36
LibreCat
| DOI
2012 | Conference Paper | LibreCat-ID: 15986
Gorny, B., Hankeln, F., Lauter, C., Schmidt, H. C., Damerow, U., Mahnken, R., Maier, H. J., Tröster, T., & Homberg, W. (2012). Simulation and manufacturing of deep drawn parts reinforced by carbon fibre prepregs. 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy.
LibreCat
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N. J., … Schmidt, W. G. (2013). Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner, & M. M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13 (pp. 93–104). Cham: Springer. https://doi.org/10.1007/978-3-319-02165-2_8
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 15866
Ardizzone, V., Lewandowski, P., Luk, M. H., Tse, Y. C., Kwong, N. H., Lücke, A., … Schumacher, S. (2013). Formation and control of Turing patterns in a coherent quantum fluid. Scientific Reports. https://doi.org/10.1038/srep03016
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15867
Tautz, R., Da Como, E., Wiebeler, C., Soavi, G., Dumsch, I., Fröhlich, N., … Feldmann, J. (2013). Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length. Journal of the American Chemical Society, 4282–4290. https://doi.org/10.1021/ja309252a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
Luk, M. H., Tse, Y. C., Kwong, N. H., Leung, P. T., Lewandowski, P., Binder, R., & Schumacher, S. (2013). Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching. Physical Review B. https://doi.org/10.1103/physrevb.87.205307
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15870
Ling, S., Schumacher, S., Galbraith, I., & Paterson, M. J. (2013). Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. The Journal of Physical Chemistry C, 6889–6895. https://doi.org/10.1021/jp401359a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13517
Jesser, A., Rohrmüller, M., Schmidt, W. G., & Herres-Pawlis, S. (2013). Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†. Journal of Computational Chemistry, 35(1–2), 1–17. https://doi.org/10.1002/jcc.23449
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13519
Riefer, A., Sanna, S., & Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics, 447, 78–85. https://doi.org/10.1080/00150193.2013.821904
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13521
Sanna, S., Rode, S., Hölscher, R., Klassen, S., Marutschke, C., Kobayashi, K., … Kühnle, A. (2013). Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. Physical Review B, 88. https://doi.org/10.1103/physrevb.88.115422
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13522
Aldahhak, H., Schmidt, W. G., & Rauls, E. (2013). Adsorption of PTCDA on NaCl(100) and KCl(100). Surface Science, 617, 242–248. https://doi.org/10.1016/j.susc.2013.08.003
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525 |
Riefer, A., Sanna, S., Schindlmayr, A., & Schmidt, W. G. (2013). Optical response of stoichiometric and congruent lithium niobate from first-principles calculations. Physical Review B, 87(19). https://doi.org/10.1103/PhysRevB.87.195208
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 13527
Rohrmüller, M., Herres-Pawlis, S., Witte, M., & Schmidt, W. G. (2013). Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory. Journal of Computational Chemistry, 34, 1035–1045. https://doi.org/10.1002/jcc.23230
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
George, B. M., Behrends, J., Schnegg, A., Schulze, T. F., Fehr, M., Korte, L., … Gerstmann, U. (2013). Atomic Structure of Interface States in Silicon Heterojunction Solar Cells. Physical Review Letters, 110(13). https://doi.org/10.1103/physrevlett.110.136803
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13819
Riefer, A., Sanna, S., & Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics, 447, 78–85. https://doi.org/10.1080/00150193.2013.821904
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15871
Liu, H., Schumacher, S., & Meier, T. (2013). Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields. Physical Review B, 88(3), Article 035429. https://doi.org/10.1103/physrevb.88.035429
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13520
Sanna, S., Riefer, A., Neufeld, S., Schmidt, W. G., Berth, G., Rüsing, M., Widhalm, A., & Zrenner, A. (2013). Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals. Ferroelectrics, 447(1), 63–68. https://doi.org/10.1080/00150193.2013.821893
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15861
Riesen, H., Wiebeler, C., & Schumacher, S. (2014). Optical Spectroscopy of Graphene Quantum Dots: The Case of C132. The Journal of Physical Chemistry A, 5189–5195. https://doi.org/10.1021/jp502753a
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15862
Wiebeler, C., & Schumacher, S. (2014). Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type. The Journal of Physical Chemistry A, 7816–7823. https://doi.org/10.1021/jp506316w
LibreCat
| DOI
2014 | Conference Paper | LibreCat-ID: 15865
Lewandowski, P., Ardizzone, V., Tse, Y. C., Kwong, N. H., Luk, M. H., Lücke, A., … Schumacher, S. (2014). Formation and control of transverse patterns in a quantum fluid of microcavity polaritons. In M. Betz, A. Y. Elezzabi, J.-J. Song, & K.-T. Tsen (Eds.), Ultrafast Phenomena and Nanophotonics XVIII. https://doi.org/10.1117/12.2037174
LibreCat
| DOI
2014 | Conference Paper | LibreCat-ID: 13154
Graf, T., & Platzner, M. (2014). Common Fate Graph Patterns in Monte Carlo Tree Search for Computer Go. In 2014 IEEE Conference on Computational Intelligence and Games (pp. 1–8). https://doi.org/10.1109/CIG.2014.6932863
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10035
Li, Y., Sanna, S., & Schmidt, W. G. (2014). Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. The Journal of Chemical Physics. https://doi.org/10.1063/1.4883737
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10036
Hölscher, R., Schmidt, W. G., & Sanna, S. (2014). Modeling LiNbO3 Surfaces at Ambient Conditions. The Journal of Physical Chemistry C, 10213–10220. https://doi.org/10.1021/jp502936f
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13508
Guo, Q., Paulheim, A., Sokolowski, M., Aldahhak, H., Rauls, E., & Schmidt, W. G. (2014). Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. The Journal of Physical Chemistry C, 118, 29911–29918. https://doi.org/10.1021/jp509663s
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13509
Oh, D. M., Wippermann, S., Schmidt, W. G., & Yeom, H. W. (2014). Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations. Physical Review B, 90(15). https://doi.org/10.1103/physrevb.90.155432
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13510
Hoffmann, A., Rohrmüller, M., Jesser, A., dos Santos Vieira, I., Schmidt, W. G., & Herres-Pawlis, S. (2014). 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, 35(29–30), 2146–2161. https://doi.org/10.1002/jcc.23740
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13511
Landmann, M., Köhler, T., Rauls, E., Frauenheim, T., & Schmidt, W. G. (2014). The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. Journal of Physics: Condensed Matter, 26. https://doi.org/10.1088/0953-8984/26/25/253201
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13513
Gerstmann, U., Vollmers, N. J., Lücke, A., Babilon, M., & Schmidt, W. G. (2014). Rashba splitting and relativistic energy shifts in In/Si(111) nanowires. Physical Review B, 89(16). https://doi.org/10.1103/physrevb.89.165431
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13515
Sanna, S., Hölscher, R., & Schmidt, W. G. (2014). Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. Applied Surface Science, 70–78. https://doi.org/10.1016/j.apsusc.2014.01.104
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13516
Sanna, S., Schmidt, W. G., Rode, S., Klassen, S., & Kühnle, A. (2014). Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory. Physical Review B, 89(7). https://doi.org/10.1103/physrevb.89.075403
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15863
Vollbrecht, J., Bock, H., Wiebeler, C., Schumacher, S., & Kitzerow, H.-S. (2014). Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties. Chemistry - A European Journal, 12026–12031. https://doi.org/10.1002/chem.201403287
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22955
Driben, R., & Meier, T. (2014). Nonlinear dynamics of Airy-vortex 3D wave packets: emission of vortex light waves. Optics Letters, 39(19), 5539–5542. https://doi.org/10.1364/ol.39.005539
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22954
Driben, R., Konotop, V. V., & Meier, T. (2014). Coupled Airy breathers. Optics Letters, 39(19), 5523–5526. https://doi.org/10.1364/ol.39.005523
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15864
Liu, H., Schumacher, S., & Meier, T. (2014). Influence of Coulomb-induced band couplings on linear excitonic absorption spectra of semiconducting carbon nanotubes. Physical Review B, 89(15), Article 155407. https://doi.org/10.1103/physrevb.89.155407
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22958
Driben, R., & Meier, T. (2014). Regeneration of Airy pulses in fiber-optic links with dispersion management of the two leading dispersion terms of opposite signs. Physical Review A, 89(4), Article 043817. https://doi.org/10.1103/physreva.89.043817
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 23965
Piper, M., Zibart, A., Tran, J. M., & Kenig, E. Y. (2015). Numerical investigation of turbulent forced convection heat transfer in pillow plates. International Journal of Heat and Mass Transfer, 516–527. https://doi.org/10.1016/j.ijheatmasstransfer.2015.11.014
LibreCat
| DOI
2015 | Conference Abstract | LibreCat-ID: 23974
Zibart, A., Cherkezova, R., Figge, H., & Kenig, E. (2015). 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. https://doi.org/10.1002/cite.201550048
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 15857
Di Nuzzo, D., Fontanesi, C., Jones, R., Allard, S., Dumsch, I., Scherf, U., … Da Como, E. (2015). How intermolecular geometrical disorder affects the molecular doping of donor–acceptor copolymers. Nature Communications. https://doi.org/10.1038/ncomms7460
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 15858
Tse, Y. C., Chan, C. K. P., Luk, M. H., Kwong, N. H., Leung, P. T., Binder, R., & Schumacher, S. (2015). A population-competition model for analyzing transverse optical patterns including optical control and structural anisotropy. New Journal of Physics. https://doi.org/10.1088/1367-2630/17/8/083054
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 15859
Schmutzler, J., Lewandowski, P., Aßmann, M., Niemietz, D., Schumacher, S., Kamp, M., … Bayer, M. (2015). All-optical flow control of a polariton condensate using nonresonant excitation. Physical Review B. https://doi.org/10.1103/physrevb.91.195308
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 15860
Denis, J.-C., Schumacher, S., Hedley, G. J., Ruseckas, A., Morawska, P. O., Wang, Y., … Galbraith, I. (2015). Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory. The Journal of Physical Chemistry C, 9734–9744. https://doi.org/10.1021/acs.jpcc.5b00680
LibreCat
| DOI
2015 | Conference Paper | LibreCat-ID: 16136
Reuter, C., Tröster, T., & Lauter, C. (2015). Kennwertermittlung an Faserverbundkunststoffen für Crashsimulationen mit dem FE-Solver LS-Dyna (pp. 127–132). Presented at the Tagung Werkstoffprüfung 2015, Tagung Werkstoffprüfung 2015, Bad Neuenahr: Verlag Stahleisen GmbH.
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2015 | Journal Article | LibreCat-ID: 16331
Wilfer, C., Liebhäuser, P., Hoffmann, A., Erdmann, H., Grossmann, O., Runtsch, L., … Herres-Pawlis, S. (2015). Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex. Chemistry - A European Journal, 17639–17649. https://doi.org/10.1002/chem.201501685
LibreCat
| DOI
2015 | Conference Paper | LibreCat-ID: 13153
Graf, T., & Platzner, M. (2015). 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 (pp. 1–11). Springer International Publishing. https://doi.org/10.1007/978-3-319-27992-3_1
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13199
Nuding, W., Klümper, A., & Sedrakyan, A. (2015). Localization Length Index and Subleading Corrections in a Chalker-Coddington Model: A Numerical Study. Physical Review B, 91, 115107. https://doi.org/10.1103/PhysRevB.91.115107
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10027
Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., & Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response. Physical Review B. https://doi.org/10.1103/physrevb.91.035302
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10029
Braun, C., Sanna, S., & Schmidt, W. G. (2015). Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces. The Journal of Physical Chemistry C, 9342–9346. https://doi.org/10.1021/acs.jpcc.5b00894
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10030
Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. Journal of Physics: Condensed Matter, 27(38). https://doi.org/10.1088/0953-8984/27/38/385402
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| Files available
| DOI
| WoS
| PubMed | Europe PMC
2015 | Journal Article | LibreCat-ID: 10031
Li, Y., Schmidt, W. G., & Sanna, S. (2015). Defect complexes in congruentLiNbO3and their optical signatures. Physical Review B. https://doi.org/10.1103/physrevb.91.174106
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10033
Sanna, S., Dues, C., & Schmidt, W. G. (2015). Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. Computational Materials Science, 145–150. https://doi.org/10.1016/j.commatsci.2015.03.025
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13493
Müllegger, S., Rauls, E., Gerstmann, U., Tebi, S., Serrano, G., Wiespointner-Baumgarthuber, S., … Koch, R. (2015). Mechanism for nuclear and electron spin excitation by radio frequency current. Physical Review B, 92(22). https://doi.org/10.1103/physrevb.92.220418
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13494
Aldahhak, H., Schmidt, W. G., & Rauls, E. (2015). Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces. Surface Science, 278–281. https://doi.org/10.1016/j.susc.2015.01.013
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13495
Aldahhak, H., Rauls, E., & Schmidt, W. G. (2015). Diindenoperylene adsorption on Cu(111) studied with density-functional theory. Surface Science, 260–265. https://doi.org/10.1016/j.susc.2015.03.007
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13496
Edler, F., Miccoli, I., Demuth, S., Pfnür, H., Wippermann, S., Lücke, A., … Tegenkamp, C. (2015). Interwire coupling forIn(4×1)/Si(111) probed by surface transport. Physical Review B, 92(8). https://doi.org/10.1103/physrevb.92.085426
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13497
Baghbanpourasl, A., Schmidt, W. G., Denk, M., Cobet, C., Hohage, M., Zeppenfeld, P., & Hingerl, K. (2015). Water adsorbate influence on the Cu(110) surface optical response. Surface Science, 641, 231–236. https://doi.org/10.1016/j.susc.2015.07.020
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13498
Rohrmüller, M., Hoffmann, A., Thierfelder, C., Herres-Pawlis, S., & Schmidt, W. G. (2015). The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. Journal of Computational Chemistry, 36(21–22), 1672–1685. https://doi.org/10.1002/jcc.23983
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13500
Lücke, A., Schmidt, W. G., Rauls, E., Ortmann, F., & Gerstmann, U. (2015). Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT. The Journal of Physical Chemistry B, 119, 6481–6491. https://doi.org/10.1021/acs.jpcb.5b03615
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13502
Klein, C., Vollmers, N. J., Gerstmann, U., Zahl, P., Lükermann, D., Jnawali, G., … Horn-von Hoegen, M. (2015). Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films. Physical Review B, 91(19). https://doi.org/10.1103/physrevb.91.195441
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13504
Sanna, S., Dues, C., & Schmidt, W. G. (2015). Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. Computational Materials Science, 103, 145–150. https://doi.org/10.1016/j.commatsci.2015.03.025
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13507
Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., & Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response. Physical Review B, 91. https://doi.org/10.1103/physrevb.91.035302
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13818
Neuba, A., Rohrmüller, M., Hölscher, R., Schmidt, W. G., & Henkel, G. (2015). A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry. Inorganica Chimica Acta, 430, 225–238. https://doi.org/10.1016/j.ica.2015.03.015
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13935
Driben, R., Meier, T., & Malomed, B. A. (2015). Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity. Scientific Reports, 5, Article 9420. https://doi.org/10.1038/srep09420
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13922
Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., & Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter, 27(44), Article 445501. https://doi.org/10.1088/0953-8984/27/44/445501
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 22946
Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., & Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter, 27(44), Article 445501. https://doi.org/10.1088/0953-8984/27/44/445501
LibreCat
| DOI
2015 | Conference Paper | LibreCat-ID: 22950
Podzimski, R., Duc, H. T., & Meier, T. (2015). Time-domain calculations of shift currents in bulk GaAs. In M. Betz, A. Y. Elezzabi, & K.-T. Tsen (Eds.), SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX (No. 93611U; Vol. 9361). SPIE. https://doi.org/10.1117/12.2078123
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 4332
Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., & Schmidt, W. G. (2015). Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. Physical Review B, 91(22). https://doi.org/10.1103/physrevb.91.224302
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2016 | Journal Article | LibreCat-ID: 3834
Konoshonkin, A., Borovoi, A., Kustova, N., Okamoto, H., Ishimoto, H., Grynko, Y., & Förstner, J. (2016). Light scattering by ice crystals of cirrus clouds: From exact numerical methods to physical-optics approximation. Journal of Quantitative Spectroscopy and Radiative Transfer, 195, 132–140. https://doi.org/10.1016/j.jqsrt.2016.12.024
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2016 | Journal Article | LibreCat-ID: 3843
Grynko, Y., Shkuratov, Y., & Förstner, J. (2016). Light scattering by irregular particles much larger than the wavelength with wavelength-scale surface roughness. Optics Letters, 41(15), 3491–3493. https://doi.org/10.1364/ol.41.003491
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2016 | Journal Article | LibreCat-ID: 3849
Konoshonkin, A. V., Kustova, N. V., Borovoi, A. G., Grynko, Y., & Förstner, J. (2016). Light scattering by ice crystals of cirrus clouds: comparison of the physical optics methods. Journal of Quantitative Spectroscopy and Radiative Transfer, 182, 12–23. https://doi.org/10.1016/j.jqsrt.2016.05.006
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2016 | Journal Article | LibreCat-ID: 3886
Alberti, J., Linnenbank, H., Linden, S., Grynko, Y., & Förstner, J. (2016). The role of electromagnetic interactions in second harmonic generation from plasmonic metamaterials. Applied Physics B, 122(2), 45–50. https://doi.org/10.1007/s00340-015-6311-x
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2016 | Conference Abstract | LibreCat-ID: 23975
Zibart, A., Cherkezova, R., Figge, H., & Kenig, E. (2016). Eine neue Rippengeometrie zur Verbesserung des Wärmeübergangs in flüssigkeitsdurchströmten Kanälen. Presented at the Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stoffübertragung, Kassel.
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2016 | Journal Article | LibreCat-ID: 6551
Bause, F., Rautenberg, J., Feldmann, N., Webersen, M., Claes, L., Gravenkamp, H., & Henning, B. (2016). Ultrasonic transmission measurements in the characterization of viscoelasticity utilizing polymeric waveguides. Measurement Science and Technology, 27(10). https://doi.org/10.1088/0957-0233/27/10/105601
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2016 | Journal Article | LibreCat-ID: 6555 |
Claes, L., Meyer, T., Bause, F., Rautenberg, J., & Henning, B. (2016). Determination of the material properties of polymers using laser-generated broadband ultrasound. Journal of Sensors and Sensor Systems, 5(1), 187–196. https://doi.org/10.5194/jsss-5-187-2016
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2016 | Conference Paper | LibreCat-ID: 6576
Webersen, M., Johannesmann, S., Claes, L., & Henning, B. (2016). Characterization of Continuous-fiber Reinforced Thermoplastics Using Thermoacoustically Excited Ultrasonic Lamb Waves. In 2016 IEEE IUS~Proceedings.
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2016 | Journal Article | LibreCat-ID: 16954
Hanske, J., Aleksić, S., Ballaschk, M., Jurk, M., Shanina, E., Beerbaum, M., … Rademacher, C. (2016). Intradomain Allosteric Network Modulates Calcium Affinity of the C-Type Lectin Receptor Langerin. Journal of the American Chemical Society, 12176–12186. https://doi.org/10.1021/jacs.6b05458
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2016 | Journal Article | LibreCat-ID: 15852
Niemietz, D., Schmutzler, J., Lewandowski, P., Winkler, K., Aßmann, M., Schumacher, S., … Bayer, M. (2016). Experimental realization of a polariton beam amplifier. Physical Review B. https://doi.org/10.1103/physrevb.93.235301
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2016 | Journal Article | LibreCat-ID: 15853
Yulin, A. V., Chestnov, I. Y., Ma, X., Schumacher, S., Peschel, U., & Egorov, O. A. (2016). Dynamics of exciton-polaritons in discrete lattices under incoherent localized pumping. Physical Review B. https://doi.org/10.1103/physrevb.94.054312
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2016 | Journal Article | LibreCat-ID: 15854
Lewandowski, P., Lafont, O., Baudin, E., Chan, C. K. P., Leung, P. T., Luk, S. M. H., … Schumacher, S. (2016). Polarization dependence of nonlinear wave mixing of spinor polaritons in semiconductor microcavities. Physical Review B. https://doi.org/10.1103/physrevb.94.045308
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2016 | Journal Article | LibreCat-ID: 15855
Kwong, N. H., Tsang, C. Y., Luk, M. H., Tse, Y. C., Lewandowski, P., Chan, C. K. P., … Binder, R. (2016). Patterns and switching dynamics in polaritonic quantum fluids in semiconductor microcavities [Invited]. Journal of the Optical Society of America B. https://doi.org/10.1364/josab.33.00c153
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2016 | Journal Article | LibreCat-ID: 16323
Vollmers, N. J., Müller, P., Hoffmann, A., Herres-Pawlis, S., Rohrmüller, M., Schmidt, W. G., … Bauer, M. (2016). Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State. Inorganic Chemistry, 11694–11706. https://doi.org/10.1021/acs.inorgchem.6b01704
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2016 | Conference Paper | LibreCat-ID: 13151
Graf, T., & Platzner, M. (2016). Using Deep Convolutional Neural Networks in Monte Carlo Tree Search. In Computer and Games.
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2016 | Conference Paper | LibreCat-ID: 13152
Graf, T., & Platzner, M. (2016). Monte-Carlo Simulation Balancing Revisited. In IEEE Computational Intelligence and Games.
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2016 | Journal Article | LibreCat-ID: 13240
Partovi-Azar, P., Berg, M., Sanna, S., & Kühne, T. D. (2016). Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory. International Journal of Quantum Chemistry, 116(15), 1160–1165. https://doi.org/10.1002/qua.25150
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2016 | Journal Article | LibreCat-ID: 13241
Köster, A., Spura, T., Rutkai, G., Kessler, J., Wiebeler, H., Vrabec, J., & Kühne, T. D. (2016). Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations. Journal of Computational Chemistry, 37(19), 1828–1838. https://doi.org/10.1002/jcc.24398
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2016 | Journal Article | LibreCat-ID: 13252
Tierney, K., Pacino, D., & Voß, S. (2016). Solving the Pre-Marshalling Problem to Optimality with A* and IDA*. Flexible Services and Manufacturing Journal, 223–259. https://doi.org/10.1007/s10696-016-9246-6
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2016 | Journal Article | LibreCat-ID: 13458
Liebhaber, M., Halbig, B., Bass, U., Geurts, J., Neufeld, S., Sanna, S., … Esser, N. (2016). Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations. Physical Review B, 94(23). https://doi.org/10.1103/physrevb.94.235304
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| DOI
2016 | Journal Article | LibreCat-ID: 10024 |
Riefer, A., Friedrich, M., Sanna, S., Gerstmann, U., Schindlmayr, A., & Schmidt, W. G. (2016). LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects. Physical Review B, 93(7). https://doi.org/10.1103/PhysRevB.93.075205
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| DOI
| WoS
2016 | Journal Article | LibreCat-ID: 10025
Friedrich, M., Schindlmayr, A., Schmidt, W. G., & Sanna, S. (2016). LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles. Physica Status Solidi B, 253(4), 683–689. https://doi.org/10.1002/pssb.201552576
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| DOI
| WoS
2016 | Journal Article | LibreCat-ID: 13475
Timmer, F., Oelke, R., Dues, C., Sanna, S., Schmidt, W. G., Franz, M., … Wollschläger, J. (2016). Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111). Physical Review B, 94(20). https://doi.org/10.1103/physrevb.94.205431
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| DOI
2016 | Journal Article | LibreCat-ID: 13476
Vollmers, N. J., Müller, P., Hoffmann, A., Herres-Pawlis, S., Rohrmüller, M., Schmidt, W. G., … Bauer, M. (2016). Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State. Inorganic Chemistry, 55, 11694–11706. https://doi.org/10.1021/acs.inorgchem.6b01704
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| DOI
2016 | Journal Article | LibreCat-ID: 13477
Witte, M., Grimm-Lebsanft, B., Goos, A., Binder, S., Rübhausen, M., Bernard, M., … Herres-Pawlis, S. (2016). Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2. Journal of Computational Chemistry, 37(23–24), 2181–2192. https://doi.org/10.1002/jcc.24439
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2016 | Journal Article | LibreCat-ID: 13478
Speiser, E., Esser, N., Wippermann, S., & Schmidt, W. G. (2016). Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires. Physical Review B, 94(7). https://doi.org/10.1103/physrevb.94.075417
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2016 | Journal Article | LibreCat-ID: 13479
Lücke, A., Ortmann, F., Panhans, M., Sanna, S., Rauls, E., Gerstmann, U., & Schmidt, W. G. (2016). Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles. The Journal of Physical Chemistry B, 120, 5572–5580. https://doi.org/10.1021/acs.jpcb.6b03598
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2016 | Journal Article | LibreCat-ID: 13480
Paulheim, A., Marquardt, C., Aldahhak, H., Rauls, E., Schmidt, W. G., & Sokolowski, M. (2016). Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces. The Journal of Physical Chemistry C, 10, 11926–11937. https://doi.org/10.1021/acs.jpcc.6b01956
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2016 | Journal Article | LibreCat-ID: 13481
Jeckelmann, E., Sanna, S., Schmidt, W. G., Speiser, E., & Esser, N. (2016). Grand canonical Peierls transition in In/Si(111). Physical Review B, 93(24). https://doi.org/10.1103/physrevb.93.241407
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2016 | Journal Article | LibreCat-ID: 13485
Sanna, S., Dues, C., Schmidt, W. G., Timmer, F., Wollschläger, J., Franz, M., … Dähne, M. (2016). Rare-earth silicide thin films on the Si(111) surface. Physical Review B, 93(19). https://doi.org/10.1103/physrevb.93.195407
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2016 | Journal Article | LibreCat-ID: 13487
Witte, M., Gerstmann, U., Neuba, A., Henkel, G., & Schmidt, W. G. (2016). Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2. Journal of Computational Chemistry, 37, 1005–1018. https://doi.org/10.1002/jcc.24289
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2016 | Journal Article | LibreCat-ID: 13488
Miccoli, I., Edler, F., Pfnür, H., Appelfeller, S., Dähne, M., Holtgrewe, K., … Tegenkamp, C. (2016). Atomic size effects studied by transport in single silicide nanowires. Physical Review B. https://doi.org/10.1103/physrevb.93.125412
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2016 | Journal Article | LibreCat-ID: 13492
Tebi, S., Aldahhak, H., Serrano, G., Schöfberger, W., Rauls, E., Schmidt, W. G., … Müllegger, S. (2016). Manipulation resolves non-trivial structure of corrole monolayer on Ag(111). Nanotechnology, 27. https://doi.org/10.1088/0957-4484/27/2/025704
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2016 | Journal Article | LibreCat-ID: 13815
Paulheim, A., Marquardt, C., Sokolowski, M., Hochheim, M., Bredow, T., Aldahhak, H., … Schmidt, W. G. (2016). Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces. Physical Chemistry Chemical Physics, 18, 32891–32902. https://doi.org/10.1039/c6cp05661j
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2016 | Journal Article | LibreCat-ID: 13816
Yeom, H. W., Oh, D. M., Wippermann, S., & Schmidt, W. G. (2016). Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array. ACS Nano, 10, 810–814. https://doi.org/10.1021/acsnano.5b05925
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2016 | Journal Article | LibreCat-ID: 15856
Vollbrecht, J., Wiebeler, C., Neuba, A., Bock, H., Schumacher, S., & Kitzerow, H.-S. (2016). Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet Excitation: Photophysical and Electrochemical Analysis. The Journal of Physical Chemistry C, 7839–7848. https://doi.org/10.1021/acs.jpcc.6b00954
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2016 | Journal Article | LibreCat-ID: 13917
Amrehn, S., Berghoff, D., Nikitin, A., Reichelt, M., Wu, X., Meier, T., & Wagner, T. (2016). Indium oxide inverse opal films synthesized by structure replication method. Photonics and Nanostructures - Fundamentals and Applications, 19, 55–63. https://doi.org/10.1016/j.photonics.2016.02.005
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2016 | Conference Paper | LibreCat-ID: 13918
Podzimski, R., Duc, H. T., Priyadarshi, S., Schmidt, C., Bieler, M., & Meier, T. (2016). Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations. In M. Betz & A. Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XX (No. 97460W; Vol. 9746). SPIE. https://doi.org/10.1117/12.2208572
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2016 | Journal Article | LibreCat-ID: 13910
Ma, X., Driben, R., Malomed, B. A., Meier, T., & Schumacher, S. (2016). Two-dimensional symbiotic solitons and vortices in binary condensates with attractive cross-species interaction. Scientific Reports, 6, Article 34847. https://doi.org/10.1038/srep34847
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2016 | Journal Article | LibreCat-ID: 22942
Duc, H. T., Podzimski, R., Priyadarshi, S., Bieler, M., & Meier, T. (2016). Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation intensity dependence and the importance of band mixing. Physical Review B, 94(8), Article 085305. https://doi.org/10.1103/physrevb.94.085305
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2016 | Journal Article | LibreCat-ID: 13920
Lohrenz, J., Melzer, S., Ruppert, C., Akimov, I. A., Mariette, H., Reichelt, M., Trautmann, A., Meier, T., & Betz, M. (2016). Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe. Physical Review B, 93(7). https://doi.org/10.1103/physrevb.93.075201
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2016 | Conference Paper | LibreCat-ID: 25
Lass, M., Kühne, T., & Plessl, C. (2016). Using Approximate Computing in Scientific Codes. Workshop on Approximate Computing (AC).
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2016 | Journal Article | LibreCat-ID: 10026
Rüsing, M., Sanna, S., Neufeld, S., Berth, G., Schmidt, W. G., Zrenner, A., Yu, H., Wang, Y., & Zhang, H. (2016). Vibrational properties of LiNb1−xTaxO3 mixed crystals. Physical Review B. https://doi.org/10.1103/physrevb.93.184305
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2017 | Book Chapter | LibreCat-ID: 3836
Grynko, Y., & Förstner, J. (2017). Simulation of Second Harmonic Generation from Photonic Nanostructures Using the Discontinuous Galerkin Time Domain Method. In A. Agrawal (Ed.), Recent Trends in Computational Photonics (pp. 261–284). Cham: Springer International Publishing. https://doi.org/10.1007/978-3-319-55438-9_9
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2017 | Mastersthesis | LibreCat-ID: 1157
Witschen, L. M. (2017). A Framework for the Synthesis of Approximate Circuits. Universität Paderborn.
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2017 | Journal Article | LibreCat-ID: 23966
Piper, M., Zibart, A., & Kenig, E. Y. (2017). New design equations for turbulent forced convection heat transfer and pressure loss in pillow-plate channels. International Journal of Thermal Sciences, 459–468. https://doi.org/10.1016/j.ijthermalsci.2017.06.012
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2017 | Conference Abstract | LibreCat-ID: 23970
Zibart, A., & Kenig, E. (2017). Numerical Investigation of Liquid Falling Film Flow on the Wavy Surface of Vertical Pillow Plates. Presented at the 12th SDEWES Conference, Dubrovnik, Croatia.
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2017 | Conference Paper | LibreCat-ID: 5914
Dellnitz, M., Eckstein, J., Flaßkamp, K., Friedel, P., Horenkamp, C., Köhler, U., … Tiemeyer, S. (2017). Multiobjective Optimal Control Methods for the Development of an Intelligent Cruise Control. In Progress in Industrial Mathematics at ECMI 2014 (pp. 633–641). Cham: Springer International Publishing. https://doi.org/10.1007/978-3-319-23413-7_87
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