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720 Publications


1999 | Book Chapter | LibreCat-ID: 2435
J. Simon, A. Reinefeld, and O. Heinz, “Large-Scale SCI Clusters in Practice: Architecture and Performance in SCI,” in SCI: Scalable Coherent Interface. Architecture and Software for High-Performance Compute Clusters, vol. 1734, H. Hellwagner and A. Reinefeld, Eds. Berlin / Heidelberg: Springer, 1999, pp. 367–381.
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2002 | Journal Article | LibreCat-ID: 13736
W. G. Schmidt, F. Bechstedt, W. Lu, and J. Bernholc, “Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001),” Physical Review B, vol. 66, p. 0855334, 2002.
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2005 | Journal Article | LibreCat-ID: 15849
S. Schumacher et al., “Polariton propagation in shallow-confinement heterostructures: Microscopic theory and experiment showing the breakdown of the dead-layer concept,” Physical Review B, 2005.
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2005 | Journal Article | LibreCat-ID: 15850
S. Schumacher et al., “Coherent propagation of polaritons in semiconductor heterostructures: Nonlinear pulse transmission in theory and experiment,” Physical Review B, 2005.
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2006 | Journal Article | LibreCat-ID: 15848
S. Schulz, S. Schumacher, and G. Czycholl, “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, 2006.
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2006 | Journal Article | LibreCat-ID: 13684
T. Letzig, F. Willig, P. H. Hahn, and W. G. Schmidt, “Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface,” Physical Review B, vol. 74, no. 24, 2006.
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2006 | Journal Article | LibreCat-ID: 13688
S. Blankenburg and W. G. Schmidt, “Adsorption of phenylglycine on copper: Density functional calculations,” Physical Review B, vol. 74, no. 15, 2006.
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2006 | Journal Article | LibreCat-ID: 13690
C. Thierfelder, A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations,” Physical Review B, vol. 74, no. 4, 2006.
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2006 | Journal Article | LibreCat-ID: 13691
S. Biering, A. Hermann, and W. G. Schmidt, “Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions,” Physical Review B, vol. 73, no. 23, 2006.
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2007 | Journal Article | LibreCat-ID: 13677
C. Thierfelder and W. G. Schmidt, “Ethanol adsorbed on ice: A first-principles study,” Physical Review B, vol. 76, no. 19, 2007.
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2007 | Journal Article | LibreCat-ID: 13678
S. Blankenburg and W. G. Schmidt, “Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer,” Physical Review Letters, vol. 99, no. 19, 2007.
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2007 | Journal Article | LibreCat-ID: 13680
S. Blankenburg and W. G. Schmidt, “Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110),” Nanotechnology, vol. 18, 2007.
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2007 | Journal Article | LibreCat-ID: 13681
S. Wippermann et al., “Quantum conductance of In nanowires on Si(111) from first principles calculations,” Surface Science, pp. 4045–4047, 2007.
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2007 | Journal Article | LibreCat-ID: 13683
A. A. Stekolnikov et al., “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance,” Physical Review Letters, vol. 98, no. 2, 2007.
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2008 | Journal Article | LibreCat-ID: 13663
S. Wippermann and W. G. Schmidt, “Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array,” Surface Science, vol. 603, pp. 247–250, 2008.
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2008 | Journal Article | LibreCat-ID: 13666
S. Wippermann and W. G. Schmidt, “Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles,” Physical Review B, vol. 78, no. 23, 2008.
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2008 | Journal Article | LibreCat-ID: 13667
S. Blankenburg and W. G. Schmidt, “Spatial modulation of molecular adsorption energies due to indirect interaction,” Physical Review B, vol. 78, 2008.
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2008 | Journal Article | LibreCat-ID: 13668
E. Rauls and W. G. Schmidt, “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110),” Journal of Physical Chemistry C, vol. 112, pp. 11490–11494, 2008.
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2008 | Journal Article | LibreCat-ID: 13669
E. Rauls, S. J. Dijkstra, and W. G. Schmidt, “Atomic structure and energetics of thec-GaN(001) surface,” Physical Review B, vol. 78, no. 11, 2008.
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2008 | Journal Article | LibreCat-ID: 13670
E. Rauls, S. Blankenburg, and W. G. Schmidt, “DFT calculations of adenine adsorption on coin metal (110) surfaces,” Surface Science, vol. 602, pp. 2170–2174, 2008.
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2008 | Journal Article | LibreCat-ID: 13671
A. Hermann, W. G. Schmidt, and P. Schwerdtfeger, “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects,” Physical Review Letters, vol. 100, no. 20, 2008.
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2008 | Journal Article | LibreCat-ID: 13672
A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Theoretical study of the localization of excess electrons at the surface of ice,” Journal of Physics: Condensed Matter, vol. 20, 2008.
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2008 | Journal Article | LibreCat-ID: 13674
S. Wippermann, N. Koch, and W. G. Schmidt, “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects,” Physical Review Letters, vol. 100, no. 10, 2008.
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2008 | Journal Article | LibreCat-ID: 13675
B. Lange and W. G. Schmidt, “Ammonia adsorption on Cl/Si(001): First-principles calculations,” Surface Science, vol. 602, pp. 1207–1211, 2008.
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2008 | Journal Article | LibreCat-ID: 13676
W. G. Schmidt et al., “LiNbO3ground- and excited-state properties from first-principles calculations,” Physical Review B, vol. 77, 2008.
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2009 | Journal Article | LibreCat-ID: 15847
N. H. Kwong, S. Schumacher, and R. Binder, “Electron-Spin Beat Susceptibility of Excitons in Semiconductor Quantum Wells,” Physical Review Letters, 2009.
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2009 | Journal Article | LibreCat-ID: 13576
S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered molecular rows,” physica status solidi (c), pp. 153–156, 2009.
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2009 | Journal Article | LibreCat-ID: 13577
S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered molecular rows,” physica status solidi (c), vol. 7, no. 2, pp. 153–156, 2009.
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2009 | Journal Article | LibreCat-ID: 13578
S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initioinvestigation of the LiNbO3(0001) surface,” physica status solidi (c), pp. 145–148, 2009.
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2009 | Journal Article | LibreCat-ID: 13579
S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initioinvestigation of the LiNbO3(0001) surface,” physica status solidi (c), vol. 7, no. 2, pp. 145–148, 2009.
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2009 | Journal Article | LibreCat-ID: 13580
S. Wippermann, W. G. Schmidt, P. Thissen, and G. Grundmeier, “Dissociative and molecular adsorption of water onα-Al2O3(0001),” physica status solidi (c), vol. 7, no. 2, pp. 137–140, 2009.
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2009 | Journal Article | LibreCat-ID: 13583
A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann, “Vacancy clusters created via room temperature irradiation in 6H-SiC,” Physica B: Condensed Matter, vol. 404, pp. 4742–4744, 2009.
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2009 | Journal Article | LibreCat-ID: 13655
P. Thissen, G. Grundmeier, S. Wippermann, and W. G. Schmidt, “Water adsorption on the α-Al2O3(0001) surface,” Physical Review B, vol. 80, no. 24, 2009.
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2009 | Journal Article | LibreCat-ID: 13657
S. Sanna, W. G. Schmidt, T. Frauenheim, and U. Gerstmann, “Rare-earth defect pairs in GaN: LDA+U calculations,” Physical Review B, vol. 80, no. 10, 2009.
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2009 | Journal Article | LibreCat-ID: 13659
S. Blankenburg, E. Rauls, and W. G. Schmidt, “Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures,” The Journal of Physical Chemistry C, vol. 113, pp. 12653–12657, 2009.
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2009 | Journal Article | LibreCat-ID: 13660
S. Chandola et al., “Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response,” Physical Review Letters, vol. 102, no. 22, 2009.
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2009 | Journal Article | LibreCat-ID: 13662
S. Blankenburg and W. G. Schmidt, “Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions,” Journal of Physics: Condensed Matter, vol. 21, 2009.
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2009 | Journal Article | LibreCat-ID: 13664
B. Lange et al., “Water adsorption on hydrogenated Si(111) surfaces,” Surface Science, vol. 603, pp. 60–64, 2009.
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2009 | Journal Article | LibreCat-ID: 13665
M. Landmann, E. Rauls, and W. G. Schmidt, “First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen,” Physical Review B, vol. 79, no. 4, 2009.
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2009 | Journal Article | LibreCat-ID: 13802
P. Giannozzi et al., “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” Journal of Physics: Condensed Matter, vol. 21, no. 39, 2009.
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2010 | Journal Article | LibreCat-ID: 15846
S. Schumacher, I. Galbraith, A. Ruseckas, G. A. Turnbull, and I. D. W. Samuel, “Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach,” Physical Review B, 2010.
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2010 | Journal Article | LibreCat-ID: 13573
C. Thierfelder, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Do we know the band gap of lithium niobate?,” Physica Status Solidi C, vol. 7, no. 2, pp. 362–365, 2010.
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2010 | Journal Article | LibreCat-ID: 13574
U. Gerstmann, M. Rohrmüller, F. Mauri, and W. G. Schmidt, “Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces,” physica status solidi (c), vol. 7, no. 2, pp. 157–160, 2010.
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2010 | Journal Article | LibreCat-ID: 13581
S. Wippermann et al., “Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles,” physica status solidi (c), vol. 7, no. 2, pp. 133–136, 2010.
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2010 | Journal Article | LibreCat-ID: 13826
S. Blankenburg, E. Rauls, and W. G. Schmidt, “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization,” The Journal of Physical Chemistry Letters, vol. 1, pp. 3266–3270, 2010.
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2010 | Journal Article | LibreCat-ID: 13827
S. Wippermann and W. G. Schmidt, “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array,” Physical Review Letters, vol. 105, no. 12, 2010.
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2010 | Journal Article | LibreCat-ID: 13829
A. V. Krivosheeva, S. Sanna, and W. G. Schmidt, “First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2),” Computational Materials Science, vol. 49, no. 4, pp. 895–898, 2010.
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2010 | Journal Article | LibreCat-ID: 13830
E. Rauls, J. Wiebe, and W. G. Schmidt, “Understanding the cubic AlN growth plane from first principles,” Journal of Crystal Growth, vol. 312, pp. 2892–2895, 2010.
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2010 | Journal Article | LibreCat-ID: 13832
C. Thierfelder and W. G. Schmidt, “First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111),” Physical Review B, vol. 82, no. 11, 2010.
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2010 | Journal Article | LibreCat-ID: 13833
S. Sanna and W. G. Schmidt, “Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory,” Physical Review B, vol. 81, no. 21, 2010.
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2010 | Journal Article | LibreCat-ID: 13834
S. Sanna and W. G. Schmidt, “GaN/LiNbO3 (0001) interface formation calculated from first-principles,” Applied Surface Science, vol. 256, pp. 5740–5743, 2010.
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2010 | Journal Article | LibreCat-ID: 13836
E. Rauls, S. Blankenburg, and W. G. Schmidt, “Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111),” Physical Review B, vol. 81, no. 12, 2010.
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2010 | Journal Article | LibreCat-ID: 13838
S. Sanna and W. G. Schmidt, “GaN growth on LiNbO3 (0001) - a first-principles simulation,” physica status solidi (c), vol. 7, no. 7–8, pp. 2272–2274, 2010.
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2010 | Journal Article | LibreCat-ID: 13839
S. Blankenburg and W. G. Schmidt, “Temperature dependent stability of self-assembled molecular rows,” physica status solidi (c), vol. 7, no. 2, pp. 415–417, 2010.
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2010 | Journal Article | LibreCat-ID: 13841
S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered molecular rows,” physica status solidi (c), vol. 7, no. 2, pp. 153–156, 2010.
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2010 | Journal Article | LibreCat-ID: 13842
S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initio investigation of the LiNbO3(0001) surface,” physica status solidi (c), vol. 7, no. 2, pp. 145–148, 2010.
LibreCat | DOI
 

2010 | Journal Article | LibreCat-ID: 13843
S. Wippermann, W. G. Schmidt, P. Thissen, and G. Grundmeier, “Dissociative and molecular adsorption of water onα-Al2O3(0001),” physica status solidi (c), vol. 7, no. 2, pp. 137–140, 2010.
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2010 | Journal Article | LibreCat-ID: 4169
S. Priyadarshi et al., “Reversal of Coherently Controlled Ultrafast Photocurrents by Band Mixing in Undoped GaAs Quantum Wells,” Physical Review Letters, vol. 104, no. 21, Art. no. 217401, 2010, doi: 10.1103/physrevlett.104.217401.
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2010 | Journal Article | LibreCat-ID: 4172 | OA
K. A. Piegdon et al., “Tuning quantum-dot based photonic devices with liquid crystals,” Optics Express, vol. 18, no. 8, Art. no. 7946, 2010, doi: 10.1364/oe.18.007946.
LibreCat | Files available | DOI
 

2011 | Journal Article | LibreCat-ID: 13563
W. G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, and S. Wippermann, “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, vol. 84, no. 11, 2011.
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2011 | Journal Article | LibreCat-ID: 13564
L. S. dos Santos, W. G. Schmidt, and E. Rauls, “Group-VII point defects in ZnSe,” Physical Review B, vol. 84, no. 11, 2011.
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2011 | Journal Article | LibreCat-ID: 13565
S. Müllegger et al., “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System,” ACS Nano, vol. 5, no. 8, pp. 6480–6486, 2011.
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2011 | Journal Article | LibreCat-ID: 13568
C. Mietze et al., “Band offsets in cubic GaN/AlN superlattices,” Physical Review B, vol. 83, no. 19, 2011.
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2011 | Journal Article | LibreCat-ID: 13570
S. Müllegger et al., “Asymmetric saddling of single porphyrin molecules on Au(111),” Physical Review B, vol. 83, no. 16, 2011.
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2011 | Journal Article | LibreCat-ID: 13571
C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, and W. G. Schmidt, “Methane adsorption on graphene from first principles including dispersion interaction,” Surface Science, vol. 605, pp. 746–749, 2011.
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2011 | Journal Article | LibreCat-ID: 13823
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Vibrational properties of the LiNbO3 z-surfaces,” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 58, no. 9, pp. 1751–1756, 2011.
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2011 | Journal Article | LibreCat-ID: 13825
S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha, and W. G. Schmidt, “Barium titanate ground- and excited-state properties from first-principles calculations,” Physical Review B, vol. 83, no. 5, 2011.
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2011 | Journal Article | LibreCat-ID: 4543
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Localised Phonon Modes at LiNbO3(0001) Surfaces,” Ferroelectrics, vol. 419, no. 1, pp. 1–8, 2011, doi: 10.1080/00150193.2011.594396.
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2012 | Journal Article | LibreCat-ID: 15869
C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, and S. Schumacher, “Spectral Signatures of Polarons in Conjugated Co-polymers,” The Journal of Physical Chemistry B, pp. 4454–4460, 2012.
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2012 | Journal Article | LibreCat-ID: 15872
N. A. Montgomery et al., “Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules,” Physical Chemistry Chemical Physics, 2012.
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2012 | Conference Paper | LibreCat-ID: 15985
C. Reuter, M. Frantz, C. Lauter, H. Block, and T. Tröster, “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, 2012.
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2012 | Conference Paper | LibreCat-ID: 15987
C. Lauter, M. Frantz, J. P. Kohler, and T. Tröster, “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, 2012.
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2012 | Journal Article | LibreCat-ID: 13531
C. Schmidt, T. Breuer, S. Wippermann, W. G. Schmidt, and G. Witte, “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals,” The Journal of Physical Chemistry C, vol. 116, pp. 24098–24106, 2012.
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2012 | Journal Article | LibreCat-ID: 13534
S. Wall et al., “Atomistic Picture of Charge Density Wave Formation at Surfaces,” Physical Review Letters, vol. 109, no. 18, 2012.
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2012 | Journal Article | LibreCat-ID: 13535
S. Sanna and W. G. Schmidt, “Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics,” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 59, no. 9, pp. 1925–1928, 2012.
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2012 | Journal Article | LibreCat-ID: 13536
A. Riefer, S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Linear and nonlinear optical response of LiNbO3 calculated from first principles,” IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, vol. 59, no. 9, pp. 1929–1933, 2012.
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2012 | Journal Article | LibreCat-ID: 13538
A. Riefer, S. Sanna, and W. G. Schmidt, “Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces,” Physical Review B, vol. 86, no. 12, 2012.
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2012 | Journal Article | LibreCat-ID: 13539
S. Rode et al., “Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy,” Physical Review B, vol. 86, no. 7, 2012.
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2012 | Journal Article | LibreCat-ID: 13541
M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and W. G. Schmidt, “Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2,” Physical Review B, vol. 86, no. 6, 2012.
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2012 | Journal Article | LibreCat-ID: 13543
E. Rauls, W. G. Schmidt, T. Pertram, and K. Wandelt, “Interplay between metal-free phthalocyanine molecules and Au(110) substrates,” Surface Science, vol. 606, pp. 1120–1125, 2012.
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2012 | Journal Article | LibreCat-ID: 13545
M. Landmann, E. Rauls, and W. G. Schmidt, “The electronic structure and optical response of rutile, anatase and brookite TiO2,” Journal of Physics: Condensed Matter, vol. 24, 2012.
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2012 | Journal Article | LibreCat-ID: 13546
A. Riefer, E. Rauls, W. G. Schmidt, J. Eberhard, I. Stoll, and J. Mattay, “2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response,” Physical Review B, vol. 85, no. 16, 2012.
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2012 | Journal Article | LibreCat-ID: 13548
P. Thissen, V. Thissen, S. Wippermann, Y. J. Chabal, G. Grundmeier, and W. G. Schmidt, “pH-dependent structure and energetics of H2O/MgO(100),” Surface Science, vol. 606, pp. 902–907, 2012.
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2012 | Journal Article | LibreCat-ID: 13560
R. Hölscher, S. Sanna, and W. G. Schmidt, “Adsorption of OH and H at the LiNbO3(0001) surface,” physica status solidi (c), vol. 9, no. 6, pp. 1361–1365, 2012.
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2012 | Journal Article | LibreCat-ID: 13820
W. G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers, and U. Gerstmann, “In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition,” physica status solidi (b), vol. 249, no. 2, pp. 343–359, 2012.
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2012 | Journal Article | LibreCat-ID: 3974 | OA
S. Schumacher et al., “Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting,” Optics Express, vol. 20, no. 5, pp. 5335–5342, 2012, doi: 10.1364/oe.20.005335.
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2012 | Journal Article | LibreCat-ID: 22953
M. Reichelt, A. Walther, and T. Meier, “Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping,” Journal of the Optical Society of America B, vol. 29, no. 2, Art. no. A36, 2012, doi: 10.1364/josab.29.000a36.
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2012 | Conference Paper | LibreCat-ID: 15986
B. Gorny et al., “Simulation and manufacturing of deep drawn parts reinforced by carbon fibre prepregs,” presented at the 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy, 2012.
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2013 | Book Chapter | LibreCat-ID: 18475
A. Riefer et al., “Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations,” in High Performance Computing in Science and Engineering ‘13, W. E. Nagel, D. H. Kröner, and M. M. Resch, Eds. Cham: Springer, 2013, pp. 93–104.
LibreCat | Files available | DOI | WoS
 

2013 | Journal Article | LibreCat-ID: 15866
V. Ardizzone et al., “Formation and control of Turing patterns in a coherent quantum fluid,” Scientific Reports, 2013.
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2013 | Journal Article | LibreCat-ID: 15867
R. Tautz et al., “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length,” Journal of the American Chemical Society, pp. 4282–4290, 2013.
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2013 | Journal Article | LibreCat-ID: 15868
M. H. Luk et al., “Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching,” Physical Review B, 2013.
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2013 | Journal Article | LibreCat-ID: 15870
S. Ling, S. Schumacher, I. Galbraith, and M. J. Paterson, “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes,” The Journal of Physical Chemistry C, pp. 6889–6895, 2013.
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2013 | Journal Article | LibreCat-ID: 13517
A. Jesser, M. Rohrmüller, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†,” Journal of Computational Chemistry, vol. 35, no. 1–2, pp. 1–17, 2013.
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2013 | Journal Article | LibreCat-ID: 13519
A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations,” Ferroelectrics, vol. 447, pp. 78–85, 2013.
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2013 | Journal Article | LibreCat-ID: 13521
S. Sanna et al., “Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces,” Physical Review B, vol. 88, 2013.
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2013 | Journal Article | LibreCat-ID: 13522
H. Aldahhak, W. G. Schmidt, and E. Rauls, “Adsorption of PTCDA on NaCl(100) and KCl(100),” Surface Science, vol. 617, pp. 242–248, 2013.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13525 | OA
A. Riefer, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Optical response of stoichiometric and congruent lithium niobate from first-principles calculations,” Physical Review B, vol. 87, no. 19, 2013.
LibreCat | Files available | DOI | WoS
 

2013 | Journal Article | LibreCat-ID: 13527
M. Rohrmüller, S. Herres-Pawlis, M. Witte, and W. G. Schmidt, “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, vol. 34, pp. 1035–1045, 2013.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13528
B. M. George et al., “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells,” Physical Review Letters, vol. 110, no. 13, 2013.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13819
A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations,” Ferroelectrics, vol. 447, pp. 78–85, 2013.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 15871
H. Liu, S. Schumacher, and T. Meier, “Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields,” Physical Review B, vol. 88, no. 3, Art. no. 035429, 2013, doi: 10.1103/physrevb.88.035429.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13520
S. Sanna et al., “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals,” Ferroelectrics, vol. 447, no. 1, pp. 63–68, 2013, doi: 10.1080/00150193.2013.821893.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 15861
H. Riesen, C. Wiebeler, and S. Schumacher, “Optical Spectroscopy of Graphene Quantum Dots: The Case of C132,” The Journal of Physical Chemistry A, pp. 5189–5195, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 15862
C. Wiebeler and S. Schumacher, “Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type,” The Journal of Physical Chemistry A, pp. 7816–7823, 2014.
LibreCat | DOI
 

2014 | Conference Paper | LibreCat-ID: 15865
P. Lewandowski et al., “Formation and control of transverse patterns in a quantum fluid of microcavity polaritons,” in Ultrafast Phenomena and Nanophotonics XVIII, 2014.
LibreCat | DOI
 

2014 | Conference Paper | LibreCat-ID: 13154
T. Graf and M. Platzner, “Common Fate Graph Patterns in Monte Carlo Tree Search for Computer Go,” in 2014 IEEE Conference on Computational Intelligence and Games, 2014, pp. 1–8.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 10035
Y. Li, S. Sanna, and W. G. Schmidt, “Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model,” The Journal of Chemical Physics, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 10036
R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” The Journal of Physical Chemistry C, pp. 10213–10220, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13508
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt, “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,” The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13509
D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations,” Physical Review B, vol. 90, no. 15, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13510
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II),” Journal of Computational Chemistry, vol. 35, no. 29–30, pp. 2146–2161, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13511
M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13513
U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba splitting and relativistic energy shifts in In/Si(111) nanowires,” Physical Review B, vol. 89, no. 16, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13515
S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” Applied Surface Science, pp. 70–78, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13516
S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory,” Physical Review B, vol. 89, no. 7, 2014.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 15863
J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, and H.-S. Kitzerow, “Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties,” Chemistry - A European Journal, pp. 12026–12031, 2014, doi: 10.1002/chem.201403287.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 22955
R. Driben and T. Meier, “Nonlinear dynamics of Airy-vortex 3D wave packets: emission of vortex light waves,” Optics Letters, vol. 39, no. 19, pp. 5539–5542, 2014, doi: 10.1364/ol.39.005539.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 22954
R. Driben, V. V. Konotop, and T. Meier, “Coupled Airy breathers,” Optics Letters, vol. 39, no. 19, pp. 5523–5526, 2014, doi: 10.1364/ol.39.005523.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 15864
H. Liu, S. Schumacher, and T. Meier, “Influence of Coulomb-induced band couplings on linear excitonic absorption spectra of semiconducting carbon nanotubes,” Physical Review B, vol. 89, no. 15, Art. no. 155407, 2014, doi: 10.1103/physrevb.89.155407.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 22958
R. Driben and T. Meier, “Regeneration of Airy pulses in fiber-optic links with dispersion management of the two leading dispersion terms of opposite signs,” Physical Review A, vol. 89, no. 4, Art. no. 043817, 2014, doi: 10.1103/physreva.89.043817.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 23965
M. Piper, A. Zibart, J. M. Tran, and E. Y. Kenig, “Numerical investigation of turbulent forced convection heat transfer in pillow plates,” International Journal of Heat and Mass Transfer, pp. 516–527, 2015.
LibreCat | DOI
 

2015 | Conference Abstract | LibreCat-ID: 23974
A. Zibart, R. Cherkezova, H. Figge, and E. Kenig, “Optimierung der Kühlung eines On-Board-Ladegeräts für elektrisch betriebene Kraftfahrzeuge mithilfe der CFD-Methoden,” presented at the Jahrestreffen der ProcessNet-Fachgemeinschaft Fluiddynamik und Trenntechnik, Bamberg, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15857
D. Di Nuzzo et al., “How intermolecular geometrical disorder affects the molecular doping of donor–acceptor copolymers,” Nature Communications, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15858
Y. C. Tse et al., “A population-competition model for analyzing transverse optical patterns including optical control and structural anisotropy,” New Journal of Physics, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15859
J. Schmutzler et al., “All-optical flow control of a polariton condensate using nonresonant excitation,” Physical Review B, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15860
J.-C. Denis et al., “Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory,” The Journal of Physical Chemistry C, pp. 9734–9744, 2015.
LibreCat | DOI
 

2015 | Conference Paper | LibreCat-ID: 16136
C. Reuter, T. Tröster, and C. Lauter, “Kennwertermittlung an Faserverbundkunststoffen für Crashsimulationen mit dem FE-Solver LS-Dyna,” presented at the Tagung Werkstoffprüfung 2015, Tagung Werkstoffprüfung 2015, Bad Neuenahr, 2015, pp. 127–132.
LibreCat
 

2015 | Journal Article | LibreCat-ID: 16331
C. Wilfer et al., “Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex,” Chemistry - A European Journal, pp. 17639–17649, 2015.
LibreCat | DOI
 

2015 | Conference Paper | LibreCat-ID: 13153
T. Graf and M. Platzner, “Adaptive Playouts in Monte-Carlo Tree Search with Policy-Gradient Reinforcement Learning,” in Advances in Computer Games: 14th International Conference, ACG 2015, Leiden, The Netherlands, July 1-3, 2015, Revised Selected Papers, 2015, pp. 1–11.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13199
W. Nuding, A. Klümper, and A. Sedrakyan, “Localization Length Index and Subleading Corrections in a Chalker-Coddington Model: A Numerical Study,” Physical Review B, vol. 91, p. 115107, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 10027
M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” Physical Review B, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 10029
C. Braun, S. Sanna, and W. G. Schmidt, “Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces,” The Journal of Physical Chemistry C, pp. 9342–9346, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 10030
M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” Journal of Physics: Condensed Matter, vol. 27, no. 38, 2015.
LibreCat | Files available | DOI | WoS | PubMed | Europe PMC
 

2015 | Journal Article | LibreCat-ID: 10031
Y. Li, W. G. Schmidt, and S. Sanna, “Defect complexes in congruentLiNbO3and their optical signatures,” Physical Review B, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 10033
S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” Computational Materials Science, pp. 145–150, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13493
S. Müllegger et al., “Mechanism for nuclear and electron spin excitation by radio frequency current,” Physical Review B, vol. 92, no. 22, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13494
H. Aldahhak, W. G. Schmidt, and E. Rauls, “Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces,” Surface Science, pp. 278–281, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13495
H. Aldahhak, E. Rauls, and W. G. Schmidt, “Diindenoperylene adsorption on Cu(111) studied with density-functional theory,” Surface Science, pp. 260–265, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13496
F. Edler et al., “Interwire coupling forIn(4×1)/Si(111) probed by surface transport,” Physical Review B, vol. 92, no. 8, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13497
A. Baghbanpourasl et al., “Water adsorbate influence on the Cu(110) surface optical response,” Surface Science, vol. 641, pp. 231–236, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13498
M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†,” Journal of Computational Chemistry, vol. 36, no. 21–22, pp. 1672–1685, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13500
A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT,” The Journal of Physical Chemistry B, vol. 119, pp. 6481–6491, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13502
C. Klein et al., “Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films,” Physical Review B, vol. 91, no. 19, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13504
S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” Computational Materials Science, vol. 103, pp. 145–150, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13507
M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” Physical Review B, vol. 91, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13818
A. Neuba, M. Rohrmüller, R. Hölscher, W. G. Schmidt, and G. Henkel, “A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry,” Inorganica Chimica Acta, vol. 430, pp. 225–238, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13935
R. Driben, T. Meier, and B. A. Malomed, “Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity,” Scientific Reports, vol. 5, Art. no. 9420, 2015, doi: 10.1038/srep09420.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13922
H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 22946
H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.
LibreCat | DOI
 

2015 | Conference Paper | LibreCat-ID: 22950
R. Podzimski, H. T. Duc, and T. Meier, “Time-domain calculations of shift currents in bulk GaAs,” in SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX, 2015, vol. 9361, doi: 10.1117/12.2078123.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 4332
S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, and W. G. Schmidt, “Raman scattering efficiency in LiTaO3 and LiNbO3 crystals,” Physical Review B, vol. 91, no. 22, 2015, doi: 10.1103/physrevb.91.224302.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 3834
A. Konoshonkin et al., “Light scattering by ice crystals of cirrus clouds: From exact numerical methods to physical-optics approximation,” Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 195, pp. 132–140, 2016.
LibreCat | Files available | DOI
 

2016 | Journal Article | LibreCat-ID: 3843
Y. Grynko, Y. Shkuratov, and J. Förstner, “Light scattering by irregular particles much larger than the wavelength with wavelength-scale surface roughness,” Optics Letters, vol. 41, no. 15, pp. 3491–3493, 2016.
LibreCat | Files available | DOI
 

2016 | Journal Article | LibreCat-ID: 3849
A. V. Konoshonkin, N. V. Kustova, A. G. Borovoi, Y. Grynko, and J. Förstner, “Light scattering by ice crystals of cirrus clouds: comparison of the physical optics methods,” Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 182, pp. 12–23, 2016.
LibreCat | Files available | DOI
 

2016 | Journal Article | LibreCat-ID: 3886
J. Alberti, H. Linnenbank, S. Linden, Y. Grynko, and J. Förstner, “The role of electromagnetic interactions in second harmonic generation from plasmonic metamaterials,” Applied Physics B, vol. 122, no. 2, pp. 45–50, 2016.
LibreCat | Files available | DOI
 

2016 | Conference Abstract | LibreCat-ID: 23975
A. Zibart, R. Cherkezova, H. Figge, and E. Kenig, “Eine neue Rippengeometrie zur Verbesserung des Wärmeübergangs in flüssigkeitsdurchströmten Kanälen,” presented at the Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stoffübertragung, Kassel, 2016.
LibreCat
 

2016 | Journal Article | LibreCat-ID: 6551
F. Bause et al., “Ultrasonic transmission measurements in the characterization of viscoelasticity utilizing polymeric waveguides,” Measurement Science and Technology, vol. 27, no. 10, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 6555 | OA
L. Claes, T. Meyer, F. Bause, J. Rautenberg, and B. Henning, “Determination of the material properties of polymers using laser-generated broadband ultrasound,” Journal of Sensors and Sensor Systems, vol. 5, no. 1, pp. 187–196, 2016.
LibreCat | DOI | Download (ext.)
 

2016 | Conference Paper | LibreCat-ID: 6576
M. Webersen, S. Johannesmann, L. Claes, and B. Henning, “Characterization of Continuous-fiber Reinforced Thermoplastics Using Thermoacoustically Excited Ultrasonic Lamb Waves,” in 2016 IEEE IUS~Proceedings, 2016.
LibreCat
 

2016 | Journal Article | LibreCat-ID: 16954
J. Hanske et al., “Intradomain Allosteric Network Modulates Calcium Affinity of the C-Type Lectin Receptor Langerin,” Journal of the American Chemical Society, pp. 12176–12186, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15852
D. Niemietz et al., “Experimental realization of a polariton beam amplifier,” Physical Review B, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15853
A. V. Yulin, I. Y. Chestnov, X. Ma, S. Schumacher, U. Peschel, and O. A. Egorov, “Dynamics of exciton-polaritons in discrete lattices under incoherent localized pumping,” Physical Review B, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15854
P. Lewandowski et al., “Polarization dependence of nonlinear wave mixing of spinor polaritons in semiconductor microcavities,” Physical Review B, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15855
N. H. Kwong et al., “Patterns and switching dynamics in polaritonic quantum fluids in semiconductor microcavities [Invited],” Journal of the Optical Society of America B, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 16323
N. J. Vollmers et al., “Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State,” Inorganic Chemistry, pp. 11694–11706, 2016.
LibreCat | DOI
 

2016 | Conference Paper | LibreCat-ID: 13151
T. Graf and M. Platzner, “Using Deep Convolutional Neural Networks in Monte Carlo Tree Search,” in Computer and Games, 2016.
LibreCat
 

2016 | Conference Paper | LibreCat-ID: 13152
T. Graf and M. Platzner, “Monte-Carlo Simulation Balancing Revisited,” in IEEE Computational Intelligence and Games, 2016.
LibreCat
 

2016 | Journal Article | LibreCat-ID: 13240
P. Partovi-Azar, M. Berg, S. Sanna, and T. D. Kühne, “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, vol. 116, no. 15, pp. 1160–1165, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13241
A. Köster et al., “Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations,” Journal of Computational Chemistry, vol. 37, no. 19, pp. 1828–1838, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13252
K. Tierney, D. Pacino, and S. Voß, “Solving the Pre-Marshalling Problem to Optimality with A* and IDA*,” Flexible Services and Manufacturing Journal, pp. 223–259, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13458
M. Liebhaber et al., “Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations,” Physical Review B, vol. 94, no. 23, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 10024 | OA
A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt, “LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects,” Physical Review B, vol. 93, no. 7, 2016.
LibreCat | Files available | DOI | WoS
 

2016 | Journal Article | LibreCat-ID: 10025
M. Friedrich, A. Schindlmayr, W. G. Schmidt, and S. Sanna, “LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles,” Physica Status Solidi B, vol. 253, no. 4, pp. 683–689, 2016.
LibreCat | Files available | DOI | WoS
 

2016 | Journal Article | LibreCat-ID: 13475
F. Timmer et al., “Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111),” Physical Review B, vol. 94, no. 20, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13476
N. J. Vollmers et al., “Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State,” Inorganic Chemistry, vol. 55, pp. 11694–11706, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13477
M. Witte et al., “Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2,” Journal of Computational Chemistry, vol. 37, no. 23–24, pp. 2181–2192, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13478
E. Speiser, N. Esser, S. Wippermann, and W. G. Schmidt, “Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires,” Physical Review B, vol. 94, no. 7, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13479
A. Lücke et al., “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles,” The Journal of Physical Chemistry B, vol. 120, pp. 5572–5580, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13480
A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W. G. Schmidt, and M. Sokolowski, “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, vol. 10, pp. 11926–11937, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13481
E. Jeckelmann, S. Sanna, W. G. Schmidt, E. Speiser, and N. Esser, “Grand canonical Peierls transition in In/Si(111),” Physical Review B, vol. 93, no. 24, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13485
S. Sanna et al., “Rare-earth silicide thin films on the Si(111) surface,” Physical Review B, vol. 93, no. 19, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13487
M. Witte, U. Gerstmann, A. Neuba, G. Henkel, and W. G. Schmidt, “Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2,” Journal of Computational Chemistry, vol. 37, pp. 1005–1018, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13488
I. Miccoli et al., “Atomic size effects studied by transport in single silicide nanowires,” Physical Review B, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13492
S. Tebi et al., “Manipulation resolves non-trivial structure of corrole monolayer on Ag(111),” Nanotechnology, vol. 27, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13815
A. Paulheim et al., “Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces,” Physical Chemistry Chemical Physics, vol. 18, pp. 32891–32902, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13816
H. W. Yeom, D. M. Oh, S. Wippermann, and W. G. Schmidt, “Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array,” ACS Nano, vol. 10, pp. 810–814, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15856
J. Vollbrecht, C. Wiebeler, A. Neuba, H. Bock, S. Schumacher, and H.-S. Kitzerow, “Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet Excitation: Photophysical and Electrochemical Analysis,” The Journal of Physical Chemistry C, pp. 7839–7848, 2016, doi: 10.1021/acs.jpcc.6b00954.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13917
S. Amrehn et al., “Indium oxide inverse opal films synthesized by structure replication method,” Photonics and Nanostructures - Fundamentals and Applications, vol. 19, pp. 55–63, 2016, doi: 10.1016/j.photonics.2016.02.005.
LibreCat | DOI
 

2016 | Conference Paper | LibreCat-ID: 13918
R. Podzimski, H. T. Duc, S. Priyadarshi, C. Schmidt, M. Bieler, and T. Meier, “Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations,” in Ultrafast Phenomena and Nanophotonics XX, 2016, vol. 9746, doi: 10.1117/12.2208572.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13910
X. Ma, R. Driben, B. A. Malomed, T. Meier, and S. Schumacher, “Two-dimensional symbiotic solitons and vortices in binary condensates with attractive cross-species interaction,” Scientific Reports, vol. 6, Art. no. 34847, 2016, doi: 10.1038/srep34847.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 22942
H. T. Duc, R. Podzimski, S. Priyadarshi, M. Bieler, and T. Meier, “Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation intensity dependence and the importance of band mixing,” Physical Review B, vol. 94, no. 8, Art. no. 085305, 2016, doi: 10.1103/physrevb.94.085305.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13920
J. Lohrenz et al., “Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe,” Physical Review B, vol. 93, no. 7, 2016, doi: 10.1103/physrevb.93.075201.
LibreCat | DOI
 

2016 | Conference Paper | LibreCat-ID: 25
M. Lass, T. Kühne, and C. Plessl, “Using Approximate Computing in Scientific Codes,” 2016.
LibreCat
 

2016 | Journal Article | LibreCat-ID: 10026
M. Rüsing et al., “Vibrational properties of LiNb1−xTaxO3 mixed crystals,” Physical Review B, 2016, doi: 10.1103/physrevb.93.184305.
LibreCat | DOI
 

2017 | Book Chapter | LibreCat-ID: 3836
Y. Grynko and J. Förstner, “Simulation of Second Harmonic Generation from Photonic Nanostructures Using the Discontinuous Galerkin Time Domain Method,” in Recent Trends in Computational Photonics, A. Agrawal, Ed. Cham: Springer International Publishing, 2017, pp. 261–284.
LibreCat | Files available | DOI
 

2017 | Mastersthesis | LibreCat-ID: 1157
L. M. Witschen, A Framework for the Synthesis of Approximate Circuits. Universität Paderborn, 2017.
LibreCat
 

2017 | Journal Article | LibreCat-ID: 23966
M. Piper, A. Zibart, and E. Y. Kenig, “New design equations for turbulent forced convection heat transfer and pressure loss in pillow-plate channels,” International Journal of Thermal Sciences, pp. 459–468, 2017.
LibreCat | DOI
 

2017 | Conference Abstract | LibreCat-ID: 23970
A. Zibart and E. Kenig, “Numerical Investigation of Liquid Falling Film Flow on the Wavy Surface of Vertical Pillow Plates,” presented at the 12th SDEWES Conference, Dubrovnik, Croatia, 2017.
LibreCat
 

2017 | Conference Paper | LibreCat-ID: 5914
M. Dellnitz et al., “Multiobjective Optimal Control Methods for the Development of an Intelligent Cruise Control,” in Progress in Industrial Mathematics at ECMI 2014 , 2017, pp. 633–641.
LibreCat | DOI
 

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