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583 Publications


1999 | Book Chapter | LibreCat-ID: 2435
Large-Scale SCI Clusters in Practice: Architecture and Performance in SCI
J. Simon, A. Reinefeld, O. Heinz, in: H. Hellwagner, A. Reinefeld (Eds.), SCI: Scalable Coherent Interface. Architecture and Software for High-Performance Compute Clusters, Springer, Berlin / Heidelberg, 1999, pp. 367–381.
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2002 | Journal Article | LibreCat-ID: 13736
Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001)
W.G. Schmidt, F. Bechstedt, W. Lu, J. Bernholc, Physical Review B 66 (2002) 0855334.
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2005 | Journal Article | LibreCat-ID: 15849
Polariton propagation in shallow-confinement heterostructures: Microscopic theory and experiment showing the breakdown of the dead-layer concept
S. Schumacher, G. Czycholl, F. Jahnke, I. Kudyk, H.I. Rückmann, J. Gutowski, A. Gust, G. Alexe, D. Hommel, Physical Review B (2005).
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2005 | Journal Article | LibreCat-ID: 15850
Coherent propagation of polaritons in semiconductor heterostructures: Nonlinear pulse transmission in theory and experiment
S. Schumacher, G. Czycholl, F. Jahnke, I. Kudyk, L. Wischmeier, I. Rückmann, T. Voss, J. Gutowski, A. Gust, D. Hommel, Physical Review B (2005).
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2006 | Journal Article | LibreCat-ID: 15848 LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13684
Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface
T. Letzig, F. Willig, P.H. Hahn, W.G. Schmidt, Physical Review B 74 (2006).
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2006 | Journal Article | LibreCat-ID: 13688
Adsorption of phenylglycine on copper: Density functional calculations
S. Blankenburg, W.G. Schmidt, Physical Review B 74 (2006).
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2006 | Journal Article | LibreCat-ID: 13690
Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations
C. Thierfelder, A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Physical Review B 74 (2006).
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2006 | Journal Article | LibreCat-ID: 13691 LibreCat | DOI
 

2007 | Journal Article | LibreCat-ID: 13677
Ethanol adsorbed on ice: A first-principles study
C. Thierfelder, W.G. Schmidt, Physical Review B 76 (2007).
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2007 | Journal Article | LibreCat-ID: 13678
Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer
S. Blankenburg, W.G. Schmidt, Physical Review Letters 99 (2007).
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2007 | Journal Article | LibreCat-ID: 13680
Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)
S. Blankenburg, W.G. Schmidt, Nanotechnology 18 (2007).
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2007 | Journal Article | LibreCat-ID: 13681
Quantum conductance of In nanowires on Si(111) from first principles calculations
S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, A.A. Stekolnikov, K. Seino, F. Bechstedt, Surface Science (2007) 4045–4047.
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2007 | Journal Article | LibreCat-ID: 13683
Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance
A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, Physical Review Letters 98 (2007).
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2008 | Journal Article | LibreCat-ID: 13663
Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array
S. Wippermann, W.G. Schmidt, Surface Science 603 (2008) 247–250.
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2008 | Journal Article | LibreCat-ID: 13666 LibreCat | DOI
 

2008 | Journal Article | LibreCat-ID: 13667
Spatial modulation of molecular adsorption energies due to indirect interaction
S. Blankenburg, W.G. Schmidt, Physical Review B 78 (2008).
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2008 | Journal Article | LibreCat-ID: 13668
Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)
E. Rauls, W.G. Schmidt, Journal of Physical Chemistry C 112 (2008) 11490–11494.
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2008 | Journal Article | LibreCat-ID: 13669
Atomic structure and energetics of thec-GaN(001) surface
E. Rauls, S.J. Dijkstra, W.G. Schmidt, Physical Review B 78 (2008).
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2008 | Journal Article | LibreCat-ID: 13670
DFT calculations of adenine adsorption on coin metal (110) surfaces
E. Rauls, S. Blankenburg, W.G. Schmidt, Surface Science 602 (2008) 2170–2174.
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2008 | Journal Article | LibreCat-ID: 13671
Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects
A. Hermann, W.G. Schmidt, P. Schwerdtfeger, Physical Review Letters 100 (2008).
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2008 | Journal Article | LibreCat-ID: 13672
Theoretical study of the localization of excess electrons at the surface of ice
A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Journal of Physics: Condensed Matter 20 (2008).
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2008 | Journal Article | LibreCat-ID: 13674
Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects
S. Wippermann, N. Koch, W.G. Schmidt, Physical Review Letters 100 (2008).
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2008 | Journal Article | LibreCat-ID: 13675
Ammonia adsorption on Cl/Si(001): First-principles calculations
B. Lange, W.G. Schmidt, Surface Science 602 (2008) 1207–1211.
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2008 | Journal Article | LibreCat-ID: 13676
LiNbO3ground- and excited-state properties from first-principles calculations
W.G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, A. Hermann, Physical Review B 77 (2008).
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2009 | Journal Article | LibreCat-ID: 15847
Electron-Spin Beat Susceptibility of Excitons in Semiconductor Quantum Wells
N.H. Kwong, S. Schumacher, R. Binder, Physical Review Letters (2009).
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2009 | Journal Article | LibreCat-ID: 13576
The physics of highly ordered molecular rows
S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (C) (2009) 153–156.
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2009 | Journal Article | LibreCat-ID: 13577
The physics of highly ordered molecular rows
S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (C) 7 (2009) 153–156.
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2009 | Journal Article | LibreCat-ID: 13578
Ab initioinvestigation of the LiNbO3(0001) surface
S. Sanna, A.V. Gavrilenko, W.G. Schmidt, Physica Status Solidi (C) (2009) 145–148.
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2009 | Journal Article | LibreCat-ID: 13579
Ab initioinvestigation of the LiNbO3(0001) surface
S. Sanna, A.V. Gavrilenko, W.G. Schmidt, Physica Status Solidi (C) 7 (2009) 145–148.
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2009 | Journal Article | LibreCat-ID: 13580
Dissociative and molecular adsorption of water onα-Al2O3(0001)
S. Wippermann, W.G. Schmidt, P. Thissen, G. Grundmeier, Physica Status Solidi (C) 7 (2009) 137–140.
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2009 | Journal Article | LibreCat-ID: 13583
Vacancy clusters created via room temperature irradiation in 6H-SiC
A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Physica B: Condensed Matter 404 (2009) 4742–4744.
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2009 | Journal Article | LibreCat-ID: 13655
Water adsorption on the α-Al2O3(0001) surface
P. Thissen, G. Grundmeier, S. Wippermann, W.G. Schmidt, Physical Review B 80 (2009).
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2009 | Journal Article | LibreCat-ID: 13657
Rare-earth defect pairs in GaN: LDA+U calculations
S. Sanna, W.G. Schmidt, T. Frauenheim, U. Gerstmann, Physical Review B 80 (2009).
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2009 | Journal Article | LibreCat-ID: 13659
Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures
S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 113 (2009) 12653–12657.
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2009 | Journal Article | LibreCat-ID: 13660
Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response
S. Chandola, K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, W.G. Schmidt, F. Bechstedt, K. Fleischer, J.F. McGilp, Physical Review Letters 102 (2009).
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2009 | Journal Article | LibreCat-ID: 13662
Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions
S. Blankenburg, W.G. Schmidt, Journal of Physics: Condensed Matter 21 (2009).
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2009 | Journal Article | LibreCat-ID: 13664
Water adsorption on hydrogenated Si(111) surfaces
B. Lange, R. Posner, K. Pohl, C. Thierfelder, G. Grundmeier, S. Blankenburg, W.G. Schmidt, Surface Science 603 (2009) 60–64.
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2009 | Journal Article | LibreCat-ID: 13665
First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 79 (2009).
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2009 | Journal Article | LibreCat-ID: 13802
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, R.M. Wentzcovitch, Journal of Physics: Condensed Matter 21 (2009).
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2010 | Journal Article | LibreCat-ID: 4169
Reversal of Coherently Controlled Ultrafast Photocurrents by Band Mixing in Undoped GaAs Quantum Wells
S. Priyadarshi, A.M. Racu, K. Pierz, U. Siegner, M. Bieler, H.T. Duc, J. Förstner, T. Meier, Physical Review Letters 104 (2010).
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2010 | Journal Article | LibreCat-ID: 4172 | OA
Tuning quantum-dot based photonic devices with liquid crystals
K.A. Piegdon, S. Declair, J. Förstner, T. Meier, H. Matthias, M. Urbanski, H.-S. Kitzerow, D. Reuter, A.D. Wieck, A. Lorke, C. Meier, Optics Express 18 (2010).
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2010 | Journal Article | LibreCat-ID: 15846 LibreCat | DOI
 

2010 | Journal Article | LibreCat-ID: 13573
Do we know the band gap of lithium niobate?
C. Thierfelder, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physica Status Solidi C 7 (2010) 362–365.
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2010 | Journal Article | LibreCat-ID: 13574
Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces
U. Gerstmann, M. Rohrmüller, F. Mauri, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 157–160.
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2010 | Journal Article | LibreCat-ID: 13581
Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles
S. Wippermann, W.G. Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, J.F. McGilp, Physica Status Solidi (C) 7 (2010) 133–136.
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2010 | Journal Article | LibreCat-ID: 13826
Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization
S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry Letters 1 (2010) 3266–3270.
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2010 | Journal Article | LibreCat-ID: 13827
Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array
S. Wippermann, W.G. Schmidt, Physical Review Letters 105 (2010).
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2010 | Journal Article | LibreCat-ID: 13829
First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)
A.V. Krivosheeva, S. Sanna, W.G. Schmidt, Computational Materials Science 49 (2010) 895–898.
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2010 | Journal Article | LibreCat-ID: 13830
Understanding the cubic AlN growth plane from first principles
E. Rauls, J. Wiebe, W.G. Schmidt, Journal of Crystal Growth 312 (2010) 2892–2895.
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2010 | Journal Article | LibreCat-ID: 13832 LibreCat | DOI
 

2010 | Journal Article | LibreCat-ID: 13833
Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory
S. Sanna, W.G. Schmidt, Physical Review B 81 (2010).
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2010 | Journal Article | LibreCat-ID: 13834
GaN/LiNbO3 (0001) interface formation calculated from first-principles
S. Sanna, W.G. Schmidt, Applied Surface Science 256 (2010) 5740–5743.
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2010 | Journal Article | LibreCat-ID: 13836
Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)
E. Rauls, S. Blankenburg, W.G. Schmidt, Physical Review B 81 (2010).
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2010 | Journal Article | LibreCat-ID: 13838
GaN growth on LiNbO3 (0001) - a first-principles simulation
S. Sanna, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 2272–2274.
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2010 | Journal Article | LibreCat-ID: 13839
Temperature dependent stability of self-assembled molecular rows
S. Blankenburg, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 415–417.
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2010 | Journal Article | LibreCat-ID: 13841
The physics of highly ordered molecular rows
S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 153–156.
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2010 | Journal Article | LibreCat-ID: 13842
Ab initio investigation of the LiNbO3(0001) surface
S. Sanna, A.V. Gavrilenko, W.G. Schmidt, Physica Status Solidi (C) 7 (2010) 145–148.
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2010 | Journal Article | LibreCat-ID: 13843
Dissociative and molecular adsorption of water onα-Al2O3(0001)
S. Wippermann, W.G. Schmidt, P. Thissen, G. Grundmeier, Physica Status Solidi (C) 7 (2010) 137–140.
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2011 | Journal Article | LibreCat-ID: 13563
Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array
W.G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, S. Wippermann, Physical Review B 84 (2011).
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2011 | Journal Article | LibreCat-ID: 13564
Group-VII point defects in ZnSe
L.S. dos Santos, W.G. Schmidt, E. Rauls, Physical Review B 84 (2011).
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2011 | Journal Article | LibreCat-ID: 13565
Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System
S. Müllegger, W. Schöfberger, M. Rashidi, T. Lengauer, F. Klappenberger, K. Diller, K. Kara, J.V. Barth, E. Rauls, W.G. Schmidt, R. Koch, ACS Nano 5 (2011) 6480–6486.
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2011 | Journal Article | LibreCat-ID: 13568
Band offsets in cubic GaN/AlN superlattices
C. Mietze, M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva, F.H. Julien, W.G. Schmidt, K. Lischka, D.J. As, Physical Review B 83 (2011).
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2011 | Journal Article | LibreCat-ID: 13570
Asymmetric saddling of single porphyrin molecules on Au(111)
S. Müllegger, M. Rashidi, T. Lengauer, E. Rauls, W.G. Schmidt, G. Knör, W. Schöfberger, R. Koch, Physical Review B 83 (2011).
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2011 | Journal Article | LibreCat-ID: 13571
Methane adsorption on graphene from first principles including dispersion interaction
C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, W.G. Schmidt, Surface Science 605 (2011) 746–749.
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2011 | Journal Article | LibreCat-ID: 13822
Localised Phonon Modes at LiNbO3(0001) Surfaces
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, Ferroelectrics 419 (2011) 1–8.
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2011 | Journal Article | LibreCat-ID: 13823
Vibrational properties of the LiNbO3 z-surfaces
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 58 (2011) 1751–1756.
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2011 | Journal Article | LibreCat-ID: 13825
Barium titanate ground- and excited-state properties from first-principles calculations
S. Sanna, C. Thierfelder, S. Wippermann, T.P. Sinha, W.G. Schmidt, Physical Review B 83 (2011).
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2012 | Journal Article | LibreCat-ID: 23470
Collective Effects in Second-Harmonic Generation from Split-Ring-Resonator Arrays
S. Linden, F.B.P. Niesler, J. Förstner, Y. Grynko, T. Meier, M. Wegener, Physical Review Letters (2012).
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2012 | Journal Article | LibreCat-ID: 22953
Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping
M. Reichelt, A. Walther, T. Meier, Journal of the Optical Society of America B (2012).
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2012 | Journal Article | LibreCat-ID: 15869
Spectral Signatures of Polarons in Conjugated Co-polymers
C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460.
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2012 | Journal Article | LibreCat-ID: 15872
Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules
N.A. Montgomery, G.J. Hedley, A. Ruseckas, J.-C. Denis, S. Schumacher, A.L. Kanibolotsky, P.J. Skabara, I. Galbraith, G.A. Turnbull, I.D.W. Samuel, Physical Chemistry Chemical Physics (2012).
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2012 | Conference Paper | LibreCat-ID: 15985
Simulation and testing of hybrid structures consisting of press-hardened steel and CFRP
C. Reuter, M. Frantz, C. Lauter, H. Block, T. Tröster, in: 2012.
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2012 | Conference Paper | LibreCat-ID: 15986
Simulation and manufacturing of deep drawn parts reinforced by carbon fibre prepregs
B. Gorny, F. Hankeln, C. Lauter, H.C. Schmidt, U. Damerow, R. Mahnken, H.J. Maier, T. Tröster, W. Homberg, in: 2012.
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2012 | Conference Paper | LibreCat-ID: 15987
Crash tests of hybrid structures consisting of sheet metal and local CFRP reinforcements
C. Lauter, M. Frantz, J.P. Kohler, T. Tröster, in: 2012.
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2012 | Journal Article | LibreCat-ID: 13531
Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals
C. Schmidt, T. Breuer, S. Wippermann, W.G. Schmidt, G. Witte, The Journal of Physical Chemistry C 116 (2012) 24098–24106.
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2012 | Journal Article | LibreCat-ID: 13534
Atomistic Picture of Charge Density Wave Formation at Surfaces
S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 109 (2012).
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2012 | Journal Article | LibreCat-ID: 13535
Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics
S. Sanna, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 59 (2012) 1925–1928.
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2012 | Journal Article | LibreCat-ID: 13536
Linear and nonlinear optical response of LiNbO3 calculated from first principles
A. Riefer, S. Sanna, A.V. Gavrilenko, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control 59 (2012) 1929–1933.
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2012 | Journal Article | LibreCat-ID: 13538
Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces
A. Riefer, S. Sanna, W.G. Schmidt, Physical Review B 86 (2012).
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2012 | Journal Article | LibreCat-ID: 13539
Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy
S. Rode, R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 86 (2012).
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2012 | Journal Article | LibreCat-ID: 13541
Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2
M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W.G. Schmidt, Physical Review B 86 (2012).
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2012 | Journal Article | LibreCat-ID: 13543
Interplay between metal-free phthalocyanine molecules and Au(110) substrates
E. Rauls, W.G. Schmidt, T. Pertram, K. Wandelt, Surface Science 606 (2012) 1120–1125.
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2012 | Journal Article | LibreCat-ID: 13545
The electronic structure and optical response of rutile, anatase and brookite TiO2
M. Landmann, E. Rauls, W.G. Schmidt, Journal of Physics: Condensed Matter 24 (2012).
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2012 | Journal Article | LibreCat-ID: 13546
2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response
A. Riefer, E. Rauls, W.G. Schmidt, J. Eberhard, I. Stoll, J. Mattay, Physical Review B 85 (2012).
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2012 | Journal Article | LibreCat-ID: 13548
pH-dependent structure and energetics of H2O/MgO(100)
P. Thissen, V. Thissen, S. Wippermann, Y.J. Chabal, G. Grundmeier, W.G. Schmidt, Surface Science 606 (2012) 902–907.
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2012 | Journal Article | LibreCat-ID: 13560
Adsorption of OH and H at the LiNbO3(0001) surface
R. Hölscher, S. Sanna, W.G. Schmidt, Physica Status Solidi (C) 9 (2012) 1361–1365.
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2012 | Journal Article | LibreCat-ID: 13820
In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition
W.G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N.J. Vollmers, U. Gerstmann, Physica Status Solidi (B) 249 (2012) 343–359.
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2013 | Book Chapter | LibreCat-ID: 18475
Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations
A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, N.J. Vollmers, R. Hölscher, M. Witte, Y. Li, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, in: W.E. Nagel, D.H. Kröner, M.M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13, Springer, Cham, 2013, pp. 93–104.
LibreCat | Files available | DOI | WoS
 

2013 | Journal Article | LibreCat-ID: 15866
Formation and control of Turing patterns in a coherent quantum fluid
V. Ardizzone, P. Lewandowski, M.H. Luk, Y.C. Tse, N.H. Kwong, A. Lücke, M. Abbarchi, E. Baudin, E. Galopin, J. Bloch, A. Lemaitre, P.T. Leung, P. Roussignol, R. Binder, J. Tignon, S. Schumacher, Scientific Reports (2013).
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2013 | Journal Article | LibreCat-ID: 15867
Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length
R. Tautz, E. Da Como, C. Wiebeler, G. Soavi, I. Dumsch, N. Fröhlich, G. Grancini, S. Allard, U. Scherf, G. Cerullo, S. Schumacher, J. Feldmann, Journal of the American Chemical Society (2013) 4282–4290.
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2013 | Journal Article | LibreCat-ID: 15868
Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching
M.H. Luk, Y.C. Tse, N.H. Kwong, P.T. Leung, P. Lewandowski, R. Binder, S. Schumacher, Physical Review B (2013).
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2013 | Journal Article | LibreCat-ID: 15870
Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes
S. Ling, S. Schumacher, I. Galbraith, M.J. Paterson, The Journal of Physical Chemistry C (2013) 6889–6895.
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2013 | Journal Article | LibreCat-ID: 15871
Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields
H. Liu, S. Schumacher, T. Meier, Physical Review B (2013).
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2013 | Journal Article | LibreCat-ID: 13517
Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†
A. Jesser, M. Rohrmüller, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2013) 1–17.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13519
LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations
A. Riefer, S. Sanna, W.G. Schmidt, Ferroelectrics 447 (2013) 78–85.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13520
Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals
S. Sanna, A. Riefer, S. Neufeld, W.G. Schmidt, G. Berth, M. Rüsing, A. Widhalm, A. Zrenner, Ferroelectrics 447 (2013) 63–68.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13521
Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces
S. Sanna, S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 88 (2013).
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13522
Adsorption of PTCDA on NaCl(100) and KCl(100)
H. Aldahhak, W.G. Schmidt, E. Rauls, Surface Science 617 (2013) 242–248.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13525 | OA
Optical response of stoichiometric and congruent lithium niobate from first-principles calculations
A. Riefer, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physical Review B 87 (2013).
LibreCat | Files available | DOI | WoS
 

2013 | Journal Article | LibreCat-ID: 13527
Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory
M. Rohrmüller, S. Herres-Pawlis, M. Witte, W.G. Schmidt, Journal of Computational Chemistry 34 (2013) 1035–1045.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13528
Atomic Structure of Interface States in Silicon Heterojunction Solar Cells
B.M. George, J. Behrends, A. Schnegg, T.F. Schulze, M. Fehr, L. Korte, B. Rech, K. Lips, M. Rohrmüller, E. Rauls, W.G. Schmidt, U. Gerstmann, Physical Review Letters 110 (2013).
LibreCat | DOI
 

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

2014 | Journal Article | LibreCat-ID: 22954
Coupled Airy breathers
R. Driben, V.V. Konotop, T. Meier, Optics Letters (2014).
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 22955 LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 22958 LibreCat | DOI
 

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

2014 | Journal Article | LibreCat-ID: 15862 LibreCat | DOI
 

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

2014 | Journal Article | LibreCat-ID: 15864 LibreCat | DOI
 

2014 | Conference Paper | LibreCat-ID: 15865
Formation and control of transverse patterns in a quantum fluid of microcavity polaritons
P. Lewandowski, V. Ardizzone, Y.C. Tse, N.H. Kwong, M.H. Luk, A. Lücke, M. Abbarchi, J. Bloch, E. Baudin, E. Galopin, A. Lemaître, P.T. Leung, P. Roussignol, R. Binder, J. Tignon, S. Schumacher, in: M. Betz, A.Y. Elezzabi, J.-J. Song, K.-T. Tsen (Eds.), Ultrafast Phenomena and Nanophotonics XVIII, 2014.
LibreCat | DOI
 

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

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

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

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

2014 | Journal Article | LibreCat-ID: 13509 LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 13510
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2014) 2146–2161.
LibreCat | DOI
 

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

2014 | Journal Article | LibreCat-ID: 13513
Rashba splitting and relativistic energy shifts in In/Si(111) nanowires
U. Gerstmann, N.J. Vollmers, A. Lücke, M. Babilon, W.G. Schmidt, Physical Review B 89 (2014).
LibreCat | DOI
 

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

2014 | Journal Article | LibreCat-ID: 13516
Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory
S. Sanna, W.G. Schmidt, S. Rode, S. Klassen, A. Kühnle, Physical Review B 89 (2014).
LibreCat | DOI
 

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

2015 | Conference Abstract | LibreCat-ID: 23974 LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 22946
Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling
H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter (2015).
LibreCat | DOI
 

2015 | Conference Paper | LibreCat-ID: 22950
Time-domain calculations of shift currents in bulk GaAs
R. Podzimski, H.T. Duc, T. Meier, in: M. Betz, A.Y. Elezzabi, K.-T. Tsen (Eds.), Ultrafast Phenomena and Nanophotonics XIX, 2015.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15857
How intermolecular geometrical disorder affects the molecular doping of donor–acceptor copolymers
D. Di Nuzzo, C. Fontanesi, R. Jones, S. Allard, I. Dumsch, U. Scherf, E. von Hauff, S. Schumacher, E. Da Como, Nature Communications (2015).
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15858
A population-competition model for analyzing transverse optical patterns including optical control and structural anisotropy
Y.C. Tse, C.K.P. Chan, M.H. Luk, N.H. Kwong, P.T. Leung, R. Binder, S. Schumacher, New Journal of Physics (2015).
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15859
All-optical flow control of a polariton condensate using nonresonant excitation
J. Schmutzler, P. Lewandowski, M. Aßmann, D. Niemietz, S. Schumacher, M. Kamp, C. Schneider, S. Höfling, M. Bayer, Physical Review B (2015).
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 15860
Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory
J.-C. Denis, S. Schumacher, G.J. Hedley, A. Ruseckas, P.O. Morawska, Y. Wang, S. Allard, U. Scherf, G.A. Turnbull, I.D.W. Samuel, I. Galbraith, The Journal of Physical Chemistry C (2015) 9734–9744.
LibreCat | DOI
 

2015 | Conference Paper | LibreCat-ID: 16136
Kennwertermittlung an Faserverbundkunststoffen für Crashsimulationen mit dem FE-Solver LS-Dyna
C. Reuter, T. Tröster, C. Lauter, in: Verlag Stahleisen GmbH, 2015, pp. 127–132.
LibreCat
 

2015 | Journal Article | LibreCat-ID: 16331
Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex
C. Wilfer, P. Liebhäuser, A. Hoffmann, H. Erdmann, O. Grossmann, L. Runtsch, E. Paffenholz, R. Schepper, R. Dick, M. Bauer, M. Dürr, I. Ivanović-Burmazović, S. Herres-Pawlis, Chemistry - A European Journal (2015) 17639–17649.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13922
Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling
H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13935
Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity
R. Driben, T. Meier, B.A. Malomed, Scientific Reports 5 (2015) 9420.
LibreCat | DOI
 

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

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

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

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

2015 | Journal Article | LibreCat-ID: 10030
Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory
M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).
LibreCat | Files available | DOI | WoS | PubMed | Europe PMC
 

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

2015 | Journal Article | LibreCat-ID: 10032
Raman scattering efficiency inLiTaO3andLiNbO3crystals
S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, W.G. Schmidt, Physical Review B (2015).
LibreCat | DOI
 

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

2015 | Journal Article | LibreCat-ID: 13493
Mechanism for nuclear and electron spin excitation by radio frequency current
S. Müllegger, E. Rauls, U. Gerstmann, S. Tebi, G. Serrano, S. Wiespointner-Baumgarthuber, W.G. Schmidt, R. Koch, Physical Review B 92 (2015).
LibreCat | DOI
 

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

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

2015 | Journal Article | LibreCat-ID: 13496
Interwire coupling forIn(4×1)/Si(111) probed by surface transport
F. Edler, I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, W.G. Schmidt, C. Tegenkamp, Physical Review B 92 (2015).
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13497
Water adsorbate influence on the Cu(110) surface optical response
A. Baghbanpourasl, W.G. Schmidt, M. Denk, C. Cobet, M. Hohage, P. Zeppenfeld, K. Hingerl, Surface Science 641 (2015) 231–236.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 13498
The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†
M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt, Journal of Computational Chemistry 36 (2015) 1672–1685.
LibreCat | DOI
 

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

2015 | Journal Article | LibreCat-ID: 13502
Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films
C. Klein, N.J. Vollmers, U. Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, C. Tegenkamp, P. Sutter, W.G. Schmidt, M. Horn-von Hoegen, Physical Review B 91 (2015).
LibreCat | DOI
 

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

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

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

2016 | Conference Paper | LibreCat-ID: 25
Using Approximate Computing in Scientific Codes
M. Lass, T. Kühne, C. Plessl, in: Workshop on Approximate Computing (AC), 2016.
LibreCat
 

2016 | Journal Article | LibreCat-ID: 3834
Light scattering by ice crystals of cirrus clouds: From exact numerical methods to physical-optics approximation
A. Konoshonkin, A. Borovoi, N. Kustova, H. Okamoto, H. Ishimoto, Y. Grynko, J. Förstner, Journal of Quantitative Spectroscopy and Radiative Transfer 195 (2016) 132–140.
LibreCat | Files available | DOI
 

2016 | Journal Article | LibreCat-ID: 3843
Light scattering by irregular particles much larger than the wavelength with wavelength-scale surface roughness
Y. Grynko, Y. Shkuratov, J. Förstner, Optics Letters 41 (2016) 3491–3493.
LibreCat | Files available | DOI
 

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

2016 | Journal Article | LibreCat-ID: 3886
The role of electromagnetic interactions in second harmonic generation from plasmonic metamaterials
J. Alberti, H. Linnenbank, S. Linden, Y. Grynko, J. Förstner, Applied Physics B 122 (2016) 45–50.
LibreCat | Files available | DOI
 

2016 | Conference Abstract | LibreCat-ID: 23975 LibreCat
 

2016 | Journal Article | LibreCat-ID: 22942 LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 6551
Ultrasonic transmission measurements in the characterization of viscoelasticity utilizing polymeric waveguides
F. Bause, J. Rautenberg, N. Feldmann, M. Webersen, L. Claes, H. Gravenkamp, B. Henning, Measurement Science and Technology 27 (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 6555 | OA
Determination of the material properties of polymers using laser-generated broadband ultrasound
L. Claes, T. Meyer, F. Bause, J. Rautenberg, B. Henning, Journal of Sensors and Sensor Systems 5 (2016) 187–196.
LibreCat | DOI | Download (ext.)
 

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

2016 | Journal Article | LibreCat-ID: 16954
Intradomain Allosteric Network Modulates Calcium Affinity of the C-Type Lectin Receptor Langerin
J. Hanske, S. Aleksić, M. Ballaschk, M. Jurk, E. Shanina, M. Beerbaum, P. Schmieder, B.G. Keller, C. Rademacher, Journal of the American Chemical Society (2016) 12176–12186.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15852
Experimental realization of a polariton beam amplifier
D. Niemietz, J. Schmutzler, P. Lewandowski, K. Winkler, M. Aßmann, S. Schumacher, S. Brodbeck, M. Kamp, C. Schneider, S. Höfling, M. Bayer, Physical Review B (2016).
LibreCat | DOI
 

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

2016 | Journal Article | LibreCat-ID: 15854
Polarization dependence of nonlinear wave mixing of spinor polaritons in semiconductor microcavities
P. Lewandowski, O. Lafont, E. Baudin, C.K.P. Chan, P.T. Leung, S.M.H. Luk, E. Galopin, A. Lemaître, J. Bloch, J. Tignon, P. Roussignol, N.H. Kwong, R. Binder, S. Schumacher, Physical Review B (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15855
Patterns and switching dynamics in polaritonic quantum fluids in semiconductor microcavities [Invited]
N.H. Kwong, C.Y. Tsang, M.H. Luk, Y.C. Tse, P. Lewandowski, C.K.P. Chan, P.T. Leung, S. Schumacher, R. Binder, Journal of the Optical Society of America B (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 15856
Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet Excitation: Photophysical and Electrochemical Analysis
J. Vollbrecht, C. Wiebeler, A. Neuba, H. Bock, S. Schumacher, H. Kitzerow, The Journal of Physical Chemistry C (2016) 7839–7848.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 16323
Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State
N.J. Vollmers, P. Müller, A. Hoffmann, S. Herres-Pawlis, M. Rohrmüller, W.G. Schmidt, U. Gerstmann, M. Bauer, Inorganic Chemistry (2016) 11694–11706.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13910
Two-dimensional symbiotic solitons and vortices in binary condensates with attractive cross-species interaction
X. Ma, R. Driben, B.A. Malomed, T. Meier, S. Schumacher, Scientific Reports 6 (2016) 34847.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13917
Indium oxide inverse opal films synthesized by structure replication method
S. Amrehn, D. Berghoff, A. Nikitin, M. Reichelt, X. Wu, T. Meier, T. Wagner, Photonics and Nanostructures - Fundamentals and Applications 19 (2016) 55–63.
LibreCat | DOI
 

2016 | Conference Paper | LibreCat-ID: 13918
Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations
R. Podzimski, H.T. Duc, S. Priyadarshi, C. Schmidt, M. Bieler, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XX, 2016.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13920
Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe
J. Lohrenz, S. Melzer, C. Ruppert, I.A. Akimov, H. Mariette, M. Reichelt, A. Trautmann, T. Meier, M. Betz, Physical Review B 93 (2016).
LibreCat | DOI
 

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

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

2016 | Journal Article | LibreCat-ID: 13240
Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory
P. Partovi-Azar, M. Berg, S. Sanna, T.D. Kühne, International Journal of Quantum Chemistry 116 (2016) 1160–1165.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13241
Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations
A. Köster, T. Spura, G. Rutkai, J. Kessler, H. Wiebeler, J. Vrabec, T.D. Kühne, Journal of Computational Chemistry 37 (2016) 1828–1838.
LibreCat | DOI
 

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

2016 | Journal Article | LibreCat-ID: 13458
Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations
M. Liebhaber, B. Halbig, U. Bass, J. Geurts, S. Neufeld, S. Sanna, W.G. Schmidt, E. Speiser, J. Räthel, S. Chandola, N. Esser, Physical Review B 94 (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 10024 | OA
LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects
A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Physical Review B 93 (2016).
LibreCat | Files available | DOI | WoS
 

2016 | Journal Article | LibreCat-ID: 10025
LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles
M. Friedrich, A. Schindlmayr, W.G. Schmidt, S. Sanna, Physica Status Solidi B 253 (2016) 683–689.
LibreCat | Files available | DOI | WoS
 

2016 | Journal Article | LibreCat-ID: 10026
Vibrational properties ofLiNb1−xTaxO3mixed crystals
M. Rüsing, S. Sanna, S. Neufeld, G. Berth, W.G. Schmidt, A. Zrenner, H. Yu, Y. Wang, H. Zhang, Physical Review B (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13475
Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111)
F. Timmer, R. Oelke, C. Dues, S. Sanna, W.G. Schmidt, M. Franz, S. Appelfeller, M. Dähne, J. Wollschläger, Physical Review B 94 (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13476
Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State
N.J. Vollmers, P. Müller, A. Hoffmann, S. Herres-Pawlis, M. Rohrmüller, W.G. Schmidt, U. Gerstmann, M. Bauer, Inorganic Chemistry 55 (2016) 11694–11706.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13477
Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2
M. Witte, B. Grimm-Lebsanft, A. Goos, S. Binder, M. Rübhausen, M. Bernard, A. Neuba, S. Gorelsky, U. Gerstmann, G. Henkel, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 37 (2016) 2181–2192.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13478
Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires
E. Speiser, N. Esser, S. Wippermann, W.G. Schmidt, Physical Review B 94 (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13479
Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles
A. Lücke, F. Ortmann, M. Panhans, S. Sanna, E. Rauls, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry B 120 (2016) 5572–5580.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13480
Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces
A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W.G. Schmidt, M. Sokolowski, The Journal of Physical Chemistry C 10 (2016) 11926–11937.
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13481
Grand canonical Peierls transition in In/Si(111)
E. Jeckelmann, S. Sanna, W.G. Schmidt, E. Speiser, N. Esser, Physical Review B 93 (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13485
Rare-earth silicide thin films on the Si(111) surface
S. Sanna, C. Dues, W.G. Schmidt, F. Timmer, J. Wollschläger, M. Franz, S. Appelfeller, M. Dähne, Physical Review B 93 (2016).
LibreCat | DOI
 

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

2016 | Journal Article | LibreCat-ID: 13488
Atomic size effects studied by transport in single silicide nanowires
I. Miccoli, F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13492
Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)
S. Tebi, H. Aldahhak, G. Serrano, W. Schöfberger, E. Rauls, W.G. Schmidt, R. Koch, S. Müllegger, Nanotechnology 27 (2016).
LibreCat | DOI
 

2016 | Journal Article | LibreCat-ID: 13815
Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces
A. Paulheim, C. Marquardt, M. Sokolowski, M. Hochheim, T. Bredow, H. Aldahhak, E. Rauls, W.G. Schmidt, Physical Chemistry Chemical Physics 18 (2016) 32891–32902.
LibreCat | DOI
 

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

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

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

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

2017 | Conference Abstract | LibreCat-ID: 23970 LibreCat
 

2017 | Journal Article | LibreCat-ID: 18
Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs
H. Riebler, M. Lass, R. Mittendorf, T. Löcke, C. Plessl, ACM Transactions on Reconfigurable Technology and Systems (TRETS) 10 (2017) 24:1-24:23.
LibreCat | Files available | DOI
 

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