Simon, Jens, Alexander Reinefeld, and Oliver Heinz. “Large-Scale SCI Clusters in Practice: Architecture and Performance in SCI.”https://doi.org/10.1007/10704208__In SCI: Scalable Coherent Interface. Architecture and Software for High-Performance Compute Clusters, edited by Hermann Hellwagner and Alexander Reinefeld, 1734:367–81. Lecture Notes in Computer Science (LNCS). Berlin / Heidelberg: Springer, 1999.https://doi.org/10.1007/10704208 .
LibreCat: /record/2435
DOI: 10.1007/10704208

Schmidt, Wolf Gero, F. Bechstedt, W. Lu, and J. Bernholc. “Interplay of Surface Reconstruction and Surface Electric Fields in the Optical Anisotropy of GaAs(001).”https://doi.org/10.1103/physrevb.66.085334__Physical Review B 66 (2002): 0855334.https://doi.org/10.1103/physrevb.66.085334 .
LibreCat: /record/13736
DOI: 10.1103/physrevb.66.085334

Schumacher, Stefan, G. Czycholl, F. Jahnke, I. Kudyk, H. I. Rückmann, J. Gutowski, A. Gust, G. Alexe, and D. Hommel. “Polariton Propagation in Shallow-Confinement Heterostructures: Microscopic Theory and Experiment Showing the Breakdown of the Dead-Layer Concept.”https://doi.org/10.1103/physrevb.70.235340__Physical Review B, 2005.https://doi.org/10.1103/physrevb.70.235340 .
LibreCat: /record/15849
DOI: 10.1103/physrevb.70.235340

Schumacher, Stefan, G. Czycholl, F. Jahnke, I. Kudyk, L. Wischmeier, I. Rückmann, T. Voss, J. Gutowski, A. Gust, and D. Hommel. “Coherent Propagation of Polaritons in Semiconductor Heterostructures: Nonlinear Pulse Transmission in Theory and Experiment.”https://doi.org/10.1103/physrevb.72.081308__Physical Review B, 2005.https://doi.org/10.1103/physrevb.72.081308 .
LibreCat: /record/15850
DOI: 10.1103/physrevb.72.081308

Schulz, S., Stefan 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.”https://doi.org/10.1103/physrevb.73.245327__Physical Review B, 2006.https://doi.org/10.1103/physrevb.73.245327 .
LibreCat: /record/15848
DOI: 10.1103/physrevb.73.245327

Letzig, T., F. Willig, P. H. Hahn, and Wolf Gero Schmidt. “Experimental and Theoretical Evidence for a Hydrogen Stabilizedc(2×2)Reconstruction of the P-Rich InP(001) Surface.”https://doi.org/10.1103/physrevb.74.245307__Physical Review B 74, no. 24 (2006).https://doi.org/10.1103/physrevb.74.245307 .
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307

Blankenburg, S., and Wolf Gero Schmidt. “Adsorption of Phenylglycine on Copper: Density Functional Calculations.”https://doi.org/10.1103/physrevb.74.155419__Physical Review B 74, no. 15 (2006).https://doi.org/10.1103/physrevb.74.155419 .
LibreCat: /record/13688
DOI: 10.1103/physrevb.74.155419

Thierfelder, C., A. Hermann, P. Schwerdtfeger, and Wolf Gero Schmidt. “Strongly Bonded Water Monomers on the Ice Ih Basal Plane: Density-Functional Calculations.”https://doi.org/10.1103/physrevb.74.045422__Physical Review B 74, no. 4 (2006).https://doi.org/10.1103/physrevb.74.045422 .
LibreCat: /record/13690
DOI: 10.1103/physrevb.74.045422

Biering, S., A. Hermann, and Wolf Gero Schmidt. “Adsorption of Water on Chlorine-Terminated Si(111) from First Principles: Substrate-Induced Ordering versus Intermolecular Interactions.”https://doi.org/10.1103/physrevb.73.235429__Physical Review B 73, no. 23 (2006).https://doi.org/10.1103/physrevb.73.235429 .
LibreCat: /record/13691
DOI: 10.1103/physrevb.73.235429

Thierfelder, C., and Wolf Gero Schmidt. “Ethanol Adsorbed on Ice: A First-Principles Study.”https://doi.org/10.1103/physrevb.76.195426__Physical Review B 76, no. 19 (2007).https://doi.org/10.1103/physrevb.76.195426 .
LibreCat: /record/13677
DOI: 10.1103/physrevb.76.195426

Blankenburg, S., and Wolf Gero Schmidt. “Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer.”https://doi.org/10.1103/physrevlett.99.196107__Physical Review Letters 99, no. 19 (2007).https://doi.org/10.1103/physrevlett.99.196107 .
LibreCat: /record/13678
DOI: 10.1103/physrevlett.99.196107

Blankenburg, S, and Wolf Gero Schmidt. “Steric Effects and Chirality in the Adsorption of Glycine and Phenylglycine on Cu(110).”https://doi.org/10.1088/0957-4484/18/42/424030__Nanotechnology 18 (2007).https://doi.org/10.1088/0957-4484/18/42/424030 .
LibreCat: /record/13680
DOI: 10.1088/0957-4484/18/42/424030

Wippermann, S., Wolf Gero Schmidt, A. Calzolari, M. Buongiorno Nardelli, A.A. Stekolnikov, K. Seino, and F. Bechstedt. “Quantum Conductance of In Nanowires on Si(111) from First Principles Calculations.”https://doi.org/10.1016/j.susc.2007.04.053__Surface Science, 2007, 4045–47.https://doi.org/10.1016/j.susc.2007.04.053 .
LibreCat: /record/13681
DOI: 10.1016/j.susc.2007.04.053

Stekolnikov, A. A., K. Seino, F. Bechstedt, S. Wippermann, Wolf Gero Schmidt, A. Calzolari, and M. Buongiorno Nardelli. “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance.”https://doi.org/10.1103/physrevlett.98.026105__Physical Review Letters 98, no. 2 (2007).https://doi.org/10.1103/physrevlett.98.026105 .
LibreCat: /record/13683
DOI: 10.1103/physrevlett.98.026105

Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.”https://doi.org/10.1016/j.susc.2008.11.013__Surface Science 603 (2008): 247–50.https://doi.org/10.1016/j.susc.2008.11.013 .
LibreCat: /record/13663
DOI: 10.1016/j.susc.2008.11.013

Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.”https://doi.org/10.1103/physrevb.78.235439__Physical Review B 78, no. 23 (2008).https://doi.org/10.1103/physrevb.78.235439 .
LibreCat: /record/13666
DOI: 10.1103/physrevb.78.235439

Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.”https://doi.org/10.1103/physrevb.78.233411__Physical Review B 78 (2008).https://doi.org/10.1103/physrevb.78.233411 .
LibreCat: /record/13667
DOI: 10.1103/physrevb.78.233411

Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).”https://doi.org/10.1021/jp8037297__Journal of Physical Chemistry C 112 (2008): 11490–94.https://doi.org/10.1021/jp8037297 .
LibreCat: /record/13668
DOI: 10.1021/jp8037297

Rauls, E., S. J. Dijkstra, and Wolf Gero Schmidt. “Atomic Structure and Energetics of Thec-GaN(001) Surface.”https://doi.org/10.1103/physrevb.78.113302__Physical Review B 78, no. 11 (2008).https://doi.org/10.1103/physrevb.78.113302 .
LibreCat: /record/13669
DOI: 10.1103/physrevb.78.113302

Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “DFT Calculations of Adenine Adsorption on Coin Metal (110) Surfaces.”https://doi.org/10.1016/j.susc.2008.04.029__Surface Science 602 (2008): 2170–74.https://doi.org/10.1016/j.susc.2008.04.029 .
LibreCat: /record/13670
DOI: 10.1016/j.susc.2008.04.029

Hermann, A., Wolf Gero Schmidt, and P. Schwerdtfeger. “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects.”https://doi.org/10.1103/physrevlett.100.207403__Physical Review Letters 100, no. 20 (2008).https://doi.org/10.1103/physrevlett.100.207403 .
LibreCat: /record/13671
DOI: 10.1103/physrevlett.100.207403

Hermann, A, P Schwerdtfeger, and Wolf Gero Schmidt. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.”https://doi.org/10.1088/0953-8984/20/22/225003__Journal of Physics: Condensed Matter 20 (2008).https://doi.org/10.1088/0953-8984/20/22/225003 .
LibreCat: /record/13672
DOI: 10.1088/0953-8984/20/22/225003

Wippermann, S., N. Koch, and Wolf Gero Schmidt. “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects.”https://doi.org/10.1103/physrevlett.100.106802__Physical Review Letters 100, no. 10 (2008).https://doi.org/10.1103/physrevlett.100.106802 .
LibreCat: /record/13674
DOI: 10.1103/physrevlett.100.106802

Lange, B., and Wolf Gero Schmidt. “Ammonia Adsorption on Cl/Si(001): First-Principles Calculations.”https://doi.org/10.1016/j.susc.2008.01.024__Surface Science 602 (2008): 1207–11.https://doi.org/10.1016/j.susc.2008.01.024 .
LibreCat: /record/13675
DOI: 10.1016/j.susc.2008.01.024

Schmidt, Wolf Gero, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, and A. Hermann. “LiNbO3ground- and Excited-State Properties from First-Principles Calculations.”https://doi.org/10.1103/physrevb.77.035106__Physical Review B 77 (2008).https://doi.org/10.1103/physrevb.77.035106 .
LibreCat: /record/13676
DOI: 10.1103/physrevb.77.035106

Kwong, N. H., Stefan Schumacher, and R. Binder. “Electron-Spin Beat Susceptibility of Excitons in Semiconductor Quantum Wells.”https://doi.org/10.1103/physrevlett.103.056405__Physical Review Letters, 2009.https://doi.org/10.1103/physrevlett.103.056405 .
LibreCat: /record/15847
DOI: 10.1103/physrevlett.103.056405

Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly Ordered Molecular Rows.”https://doi.org/10.1002/pssc.200982459__Physica Status Solidi (C), 2009, 153–56.https://doi.org/10.1002/pssc.200982459 .
LibreCat: /record/13576
DOI: 10.1002/pssc.200982459

Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly Ordered Molecular Rows.”https://doi.org/10.1002/pssc.200982459__Physica Status Solidi (C) 7, no. 2 (2009): 153–56.https://doi.org/10.1002/pssc.200982459 .
LibreCat: /record/13577
DOI: 10.1002/pssc.200982459

Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initioinvestigation of the LiNbO3(0001) Surface.”https://doi.org/10.1002/pssc.200982456__Physica Status Solidi (C), 2009, 145–48.https://doi.org/10.1002/pssc.200982456 .
LibreCat: /record/13578
DOI: 10.1002/pssc.200982456

Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initioinvestigation of the LiNbO3(0001) Surface.”https://doi.org/10.1002/pssc.200982456__Physica Status Solidi (C) 7, no. 2 (2009): 145–48.https://doi.org/10.1002/pssc.200982456 .
LibreCat: /record/13579
DOI: 10.1002/pssc.200982456

Wippermann, S., Wolf Gero Schmidt, P. Thissen, and Guido Grundmeier. “Dissociative and Molecular Adsorption of Water On;1-Al2O3(0001).”https://doi.org/10.1002/pssc.200982423__Physica Status Solidi (C) 7, no. 2 (2009): 137–40.https://doi.org/10.1002/pssc.200982423 .
LibreCat: /record/13580
DOI: 10.1002/pssc.200982423

Scholle, A., S. Greulich-Weber, E. Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.”https://doi.org/10.1016/j.physb.2009.08.123__Physica B: Condensed Matter 404 (2009): 4742–44.https://doi.org/10.1016/j.physb.2009.08.123 .
LibreCat: /record/13583
DOI: 10.1016/j.physb.2009.08.123

Thissen, P., G. Grundmeier, S. Wippermann, and Wolf Gero Schmidt. “Water Adsorption on the ;1-Al2O3(0001) Surface.”https://doi.org/10.1103/physrevb.80.245403__Physical Review B 80, no. 24 (2009).https://doi.org/10.1103/physrevb.80.245403 .
LibreCat: /record/13655
DOI: 10.1103/physrevb.80.245403

Sanna, Simone, Wolf Gero Schmidt, Th. Frauenheim, and Uwe Gerstmann. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.”https://doi.org/10.1103/physrevb.80.104120__Physical Review B 80, no. 10 (2009).https://doi.org/10.1103/physrevb.80.104120 .
LibreCat: /record/13657
DOI: 10.1103/physrevb.80.104120

Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures.”https://doi.org/10.1021/jp902337p__The Journal of Physical Chemistry C 113 (2009): 12653–57.https://doi.org/10.1021/jp902337p .
LibreCat: /record/13659
DOI: 10.1021/jp902337p

Chandola, S., K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, Wolf Gero Schmidt, F. Bechstedt, K. Fleischer, and J. F. McGilp. “Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response.”https://doi.org/10.1103/physrevlett.102.226805__Physical Review Letters 102, no. 22 (2009).https://doi.org/10.1103/physrevlett.102.226805 .
LibreCat: /record/13660
DOI: 10.1103/physrevlett.102.226805

Blankenburg, S, and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.”https://doi.org/10.1088/0953-8984/21/18/185001__Journal of Physics: Condensed Matter 21 (2009).https://doi.org/10.1088/0953-8984/21/18/185001 .
LibreCat: /record/13662
DOI: 10.1088/0953-8984/21/18/185001

Lange, B., R. Posner, K. Pohl, C. Thierfelder, Guido Grundmeier, S. Blankenburg, and Wolf Gero Schmidt. “Water Adsorption on Hydrogenated Si(111) Surfaces.”https://doi.org/10.1016/j.susc.2008.10.030__Surface Science 603 (2009): 60–64.https://doi.org/10.1016/j.susc.2008.10.030 .
LibreCat: /record/13664
DOI: 10.1016/j.susc.2008.10.030

Landmann, M., E. Rauls, and Wolf Gero Schmidt. “First-Principles Calculations of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.”https://doi.org/10.1103/physrevb.79.045412__Physical Review B 79, no. 4 (2009).https://doi.org/10.1103/physrevb.79.045412 .
LibreCat: /record/13665
DOI: 10.1103/physrevb.79.045412

Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.”https://doi.org/10.1088/0953-8984/21/39/395502__Journal of Physics: Condensed Matter 21, no. 39 (2009).https://doi.org/10.1088/0953-8984/21/39/395502 .
LibreCat: /record/13802
DOI: 10.1088/0953-8984/21/39/395502

Schumacher, Stefan, Ian Galbraith, Arvydas Ruseckas, Graham A. Turnbull, and Ifor D. W. Samuel. “Dynamics of Photoexcitation and Stimulated Optical Emission in Conjugated Polymers: A Multiscale Quantum-Chemistry and Maxwell-Bloch-Equations Approach.”https://doi.org/10.1103/physrevb.81.245407__Physical Review B, 2010.https://doi.org/10.1103/physrevb.81.245407 .
LibreCat: /record/15846
DOI: 10.1103/physrevb.81.245407

Thierfelder, Christian, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Do We Know the Band Gap of Lithium Niobate?”https://doi.org/10.1002/pssc.200982473__Physica Status Solidi C 7, no. 2 (2010): 362–65.https://doi.org/10.1002/pssc.200982473 .
LibreCat: /record/13573
DOI: 10.1002/pssc.200982473
WoS: 000284313000057

Gerstmann, Uwe, M. Rohrmüller, F. Mauri, and Wolf Gero Schmidt. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.”https://doi.org/10.1002/pssc.200982462__Physica Status Solidi (C) 7, no. 2 (2010): 157–60.https://doi.org/10.1002/pssc.200982462 .
LibreCat: /record/13574
DOI: 10.1002/pssc.200982462

Wippermann, S., Wolf Gero Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, and J. F. McGilp. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.”https://doi.org/10.1002/pssc.200982413__Physica Status Solidi (C) 7, no. 2 (2010): 133–36.https://doi.org/10.1002/pssc.200982413 .
LibreCat: /record/13581
DOI: 10.1002/pssc.200982413

Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization.”https://doi.org/10.1021/jz101389u__The Journal of Physical Chemistry Letters 1 (2010): 3266–70.https://doi.org/10.1021/jz101389u .
LibreCat: /record/13826
DOI: 10.1021/jz101389u

Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array.”https://doi.org/10.1103/physrevlett.105.126102__Physical Review Letters 105, no. 12 (2010).https://doi.org/10.1103/physrevlett.105.126102 .
LibreCat: /record/13827
DOI: 10.1103/physrevlett.105.126102

Krivosheeva, A.V., S. Sanna, and Wolf Gero Schmidt. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).”https://doi.org/10.1016/j.commatsci.2010.06.043__Computational Materials Science 49, no. 4 (2010): 895–98.https://doi.org/10.1016/j.commatsci.2010.06.043 .
LibreCat: /record/13829
DOI: 10.1016/j.commatsci.2010.06.043

Rauls, E., J. Wiebe, and Wolf Gero Schmidt. “Understanding the Cubic AlN Growth Plane from First Principles.”https://doi.org/10.1016/j.jcrysgro.2010.07.027__Journal of Crystal Growth 312 (2010): 2892–95.https://doi.org/10.1016/j.jcrysgro.2010.07.027 .
LibreCat: /record/13830
DOI: 10.1016/j.jcrysgro.2010.07.027

Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water Adsorption and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).”https://doi.org/10.1103/physrevb.82.115402__Physical Review B 82, no. 11 (2010).https://doi.org/10.1103/physrevb.82.115402 .
LibreCat: /record/13832
DOI: 10.1103/physrevb.82.115402

Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut Surfaces Fromab Initiotheory.”https://doi.org/10.1103/physrevb.81.214116__Physical Review B 81, no. 21 (2010).https://doi.org/10.1103/physrevb.81.214116 .
LibreCat: /record/13833
DOI: 10.1103/physrevb.81.214116

Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation Calculated from First-Principles.”https://doi.org/10.1016/j.apsusc.2010.03.098__Applied Surface Science 256 (2010): 5740–43.https://doi.org/10.1016/j.apsusc.2010.03.098 .
LibreCat: /record/13834
DOI: 10.1016/j.apsusc.2010.03.098

Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).”https://doi.org/10.1103/physrevb.81.125401__Physical Review B 81, no. 12 (2010).https://doi.org/10.1103/physrevb.81.125401 .
LibreCat: /record/13836
DOI: 10.1103/physrevb.81.125401

Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles Simulation.”https://doi.org/10.1002/pssc.200983649__Physica Status Solidi (C) 7, no. 7–8 (2010): 2272–74.https://doi.org/10.1002/pssc.200983649 .
LibreCat: /record/13838
DOI: 10.1002/pssc.200983649

Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of Self-Assembled Molecular Rows.”https://doi.org/10.1002/pssc.200982460__Physica Status Solidi (C) 7, no. 2 (2010): 415–17.https://doi.org/10.1002/pssc.200982460 .
LibreCat: /record/13839
DOI: 10.1002/pssc.200982460

Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly Ordered Molecular Rows.”https://doi.org/10.1002/pssc.200982459__Physica Status Solidi (C) 7, no. 2 (2010): 153–56.https://doi.org/10.1002/pssc.200982459 .
LibreCat: /record/13841
DOI: 10.1002/pssc.200982459

Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initio Investigation of the LiNbO3(0001) Surface.”https://doi.org/10.1002/pssc.200982456__Physica Status Solidi (C) 7, no. 2 (2010): 145–48.https://doi.org/10.1002/pssc.200982456 .
LibreCat: /record/13842
DOI: 10.1002/pssc.200982456

Wippermann, S., Wolf Gero Schmidt, P. Thissen, and G. Grundmeier. “Dissociative and Molecular Adsorption of Water On;1-Al2O3(0001).”https://doi.org/10.1002/pssc.200982423__Physica Status Solidi (C) 7, no. 2 (2010): 137–40.https://doi.org/10.1002/pssc.200982423 .
LibreCat: /record/13843
DOI: 10.1002/pssc.200982423

Priyadarshi, S., A. M. Racu, K. Pierz, U. Siegner, M. Bieler, H. T. Duc, Jens Förstner, and Torsten Meier. “Reversal of Coherently Controlled Ultrafast Photocurrents by Band Mixing in Undoped GaAs Quantum Wells.”https://doi.org/10.1103/physrevlett.104.217401__Physical Review Letters 104, no. 21 (2010).https://doi.org/10.1103/physrevlett.104.217401 .
LibreCat: /record/4169
DOI: 10.1103/physrevlett.104.217401

Piegdon, Karoline A., Stefan Declair, Jens Förstner, Torsten Meier, Heiner Matthias, Martin Urbanski, Heinz-Siegfried Kitzerow, et al. “Tuning Quantum-Dot Based Photonic Devices with Liquid Crystals.”https://doi.org/10.1364/oe.18.007946__Optics Express 18, no. 8 (2010).https://doi.org/10.1364/oe.18.007946 .
LibreCat: /record/4172
DOI: 10.1364/oe.18.007946

Schmidt, Wolf Gero, 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.”https://doi.org/10.1103/physrevb.84.115416__Physical Review B 84, no. 11 (2011).https://doi.org/10.1103/physrevb.84.115416 .
LibreCat: /record/13563
DOI: 10.1103/physrevb.84.115416

Santos, L. S. dos, Wolf Gero Schmidt, and E. Rauls. “Group-VII Point Defects in ZnSe.”https://doi.org/10.1103/physrevb.84.115201__Physical Review B 84, no. 11 (2011).https://doi.org/10.1103/physrevb.84.115201 .
LibreCat: /record/13564
DOI: 10.1103/physrevb.84.115201

Müllegger, Stefan, Wolfgang Schöfberger, Mohammad Rashidi, Thomas Lengauer, Florian Klappenberger, Katharina Diller, Kamuran Kara, et al. “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System.”https://doi.org/10.1021/nn201708c__ACS Nano 5, no. 8 (2011): 6480–86.https://doi.org/10.1021/nn201708c .
LibreCat: /record/13565
DOI: 10.1021/nn201708c

Mietze, C., M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva, F. H. Julien, Wolf Gero Schmidt, K. Lischka, and Donat Josef As. “Band Offsets in Cubic GaN/AlN Superlattices.”https://doi.org/10.1103/physrevb.83.195301__Physical Review B 83, no. 19 (2011).https://doi.org/10.1103/physrevb.83.195301 .
LibreCat: /record/13568
DOI: 10.1103/physrevb.83.195301

Müllegger, S., M. Rashidi, T. Lengauer, E. Rauls, Wolf Gero Schmidt, G. Knör, W. Schöfberger, and R. Koch. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).”https://doi.org/10.1103/physrevb.83.165416__Physical Review B 83, no. 16 (2011).https://doi.org/10.1103/physrevb.83.165416 .
LibreCat: /record/13570
DOI: 10.1103/physrevb.83.165416

Thierfelder, C., M. Witte, S. Blankenburg, E. Rauls, and Wolf Gero Schmidt. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.”https://doi.org/10.1016/j.susc.2011.01.012__Surface Science 605 (2011): 746–49.https://doi.org/10.1016/j.susc.2011.01.012 .
LibreCat: /record/13571
DOI: 10.1016/j.susc.2011.01.012

Sanna, S., G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and Wolf Gero Schmidt. “Vibrational Properties of the LiNbO3 Z-Surfaces.”https://doi.org/10.1109/tuffc.2011.2012__IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 58, no. 9 (2011): 1751–56.https://doi.org/10.1109/tuffc.2011.2012 .
LibreCat: /record/13823
DOI: 10.1109/tuffc.2011.2012

Sanna, S., C. Thierfelder, S. Wippermann, T. P. Sinha, and Wolf Gero Schmidt. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.”https://doi.org/10.1103/physrevb.83.054112__Physical Review B 83, no. 5 (2011).https://doi.org/10.1103/physrevb.83.054112 .
LibreCat: /record/13825
DOI: 10.1103/physrevb.83.054112

Sanna, S., Gerhard Berth, W. Hahn, A. Widhalm, Artur Zrenner, and Wolf Gero Schmidt. “Localised Phonon Modes at LiNbO3(0001) Surfaces.”https://doi.org/10.1080/00150193.2011.594396__Ferroelectrics 419, no. 1 (2011): 1–8.https://doi.org/10.1080/00150193.2011.594396 .
LibreCat: /record/4543
DOI: 10.1080/00150193.2011.594396

Wiebeler, Christian, Raphael Tautz, Jochen Feldmann, Elizabeth von Hauff, Enrico Da Como, and Stefan Schumacher. “Spectral Signatures of Polarons in Conjugated Co-Polymers.”https://doi.org/10.1021/jp3084869__The Journal of Physical Chemistry B, 2012, 4454–60.https://doi.org/10.1021/jp3084869 .
LibreCat: /record/15869
DOI: 10.1021/jp3084869

Montgomery, Neil A., Gordon J. Hedley, Arvydas Ruseckas, Jean-Christophe Denis, Stefan Schumacher, Alexander L. Kanibolotsky, Peter J. Skabara, Ian Galbraith, Graham A. Turnbull, and Ifor D. W. Samuel. “Dynamics of Fluorescence Depolarisation in Star-Shaped Oligofluorene-Truxene Molecules.”https://doi.org/10.1039/c2cp24141b__Physical Chemistry Chemical Physics, 2012.https://doi.org/10.1039/c2cp24141b .
LibreCat: /record/15872
DOI: 10.1039/c2cp24141b

Reuter, Corin, Meike Frantz, Christian Lauter, Holger Block, and Thomas Tröster. “Simulation and Testing of Hybrid Structures Consisting of Press-Hardened Steel and CFRP,” 2012.
LibreCat: /record/15985

Lauter, Christian, Meike Frantz, J. P. Kohler, and Thomas Tröster. “Crash Tests of Hybrid Structures Consisting of Sheet Metal and Local CFRP Reinforcements,” 2012.
LibreCat: /record/15987

Schmidt, Christian, Tobias Breuer, Stefan Wippermann, Wolf Gero Schmidt, and Gregor Witte. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.”https://doi.org/10.1021/jp307316r__The Journal of Physical Chemistry C 116 (2012): 24098–106.https://doi.org/10.1021/jp307316r .
LibreCat: /record/13531
DOI: 10.1021/jp307316r

Wall, Simone, Boris Krenzer, Stefan Wippermann, Simone Sanna, Friedrich Klasing, Anja Hanisch-Blicharski, Martin Kammler, Wolf Gero Schmidt, and Michael Horn-von Hoegen. “Atomistic Picture of Charge Density Wave Formation at Surfaces.”https://doi.org/10.1103/physrevlett.109.186101__Physical Review Letters 109, no. 18 (2012).https://doi.org/10.1103/physrevlett.109.186101 .
LibreCat: /record/13534
DOI: 10.1103/physrevlett.109.186101

Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3: Insights from Molecular Dynamics.”https://doi.org/10.1109/tuffc.2012.2408__IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 59, no. 9 (2012): 1925–28.https://doi.org/10.1109/tuffc.2012.2408 .
LibreCat: /record/13535
DOI: 10.1109/tuffc.2012.2408

Riefer, Arthur, Simone Sanna, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.”https://doi.org/10.1109/tuffc.2012.2409__IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control 59, no. 9 (2012): 1929–33.https://doi.org/10.1109/tuffc.2012.2409 .
LibreCat: /record/13536
DOI: 10.1109/tuffc.2012.2409

Riefer, A., S. Sanna, and Wolf Gero Schmidt. “Polarization-Dependent Methanol Adsorption on Lithium Niobate Z-Cut Surfaces.”https://doi.org/10.1103/physrevb.86.125410__Physical Review B 86, no. 12 (2012).https://doi.org/10.1103/physrevb.86.125410 .
LibreCat: /record/13538
DOI: 10.1103/physrevb.86.125410

Rode, S., R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.”https://doi.org/10.1103/physrevb.86.075468__Physical Review B 86, no. 7 (2012).https://doi.org/10.1103/physrevb.86.075468 .
LibreCat: /record/13539
DOI: 10.1103/physrevb.86.075468

Landmann, M., T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and Wolf Gero Schmidt. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.”https://doi.org/10.1103/physrevb.86.064201__Physical Review B 86, no. 6 (2012).https://doi.org/10.1103/physrevb.86.064201 .
LibreCat: /record/13541
DOI: 10.1103/physrevb.86.064201

Rauls, E., Wolf Gero Schmidt, T. Pertram, and K. Wandelt. “Interplay between Metal-Free Phthalocyanine Molecules and Au(110) Substrates.”https://doi.org/10.1016/j.susc.2012.03.010__Surface Science 606 (2012): 1120–25.https://doi.org/10.1016/j.susc.2012.03.010 .
LibreCat: /record/13543
DOI: 10.1016/j.susc.2012.03.010

Landmann, M, E Rauls, and Wolf Gero Schmidt. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.”https://doi.org/10.1088/0953-8984/24/19/195503__Journal of Physics: Condensed Matter 24 (2012).https://doi.org/10.1088/0953-8984/24/19/195503 .
LibreCat: /record/13545
DOI: 10.1088/0953-8984/24/19/195503

Riefer, A., E. Rauls, Wolf Gero Schmidt, J. Eberhard, I. Stoll, and J. Mattay. “-Aminopyrimidine-Silver(I) Based Organic Semiconductors: Electronic Structure and Optical Response.”https://doi.org/10.1103/physrevb.85.165202__Physical Review B 85, no. 16 (2012).https://doi.org/10.1103/physrevb.85.165202 .
LibreCat: /record/13546
DOI: 10.1103/physrevb.85.165202

Thissen, Peter, Vera Thissen, Stefan Wippermann, Yves J. Chabal, Guido Grundmeier, and Wolf Gero Schmidt. “PH-Dependent Structure and Energetics of O/MgO(100).”https://doi.org/10.1016/j.susc.2012.01.018__Surface Science 606 (2012): 902–7.https://doi.org/10.1016/j.susc.2012.01.018 .
LibreCat: /record/13548
DOI: 10.1016/j.susc.2012.01.018

Hölscher, R., S. Sanna, and Wolf Gero Schmidt. “Adsorption of OH and H at the LiNbO3(0001) Surface.”https://doi.org/10.1002/pssc.201100534__Physica Status Solidi (C) 9, no. 6 (2012): 1361–65.https://doi.org/10.1002/pssc.201100534 .
LibreCat: /record/13560
DOI: 10.1002/pssc.201100534

Schmidt, Wolf Gero, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers, and Uwe Gerstmann. “In-Si(111)(4×1)/(8×2) Nanowires: Electron Transport, Entropy, and Metal-Insulator Transition.”https://doi.org/10.1002/pssb.201100457__Physica Status Solidi (B) 249, no. 2 (2012): 343–59.https://doi.org/10.1002/pssb.201100457 .
LibreCat: /record/13820
DOI: 10.1002/pssb.201100457

Schumacher, Stefan, Jens Förstner, Artur Zrenner, Matthias Florian, Christopher Gies, Paul Gartner, and Frank Jahnke. “Cavity-Assisted Emission of Polarization-Entangled Photons from Biexcitons in Quantum Dots with Fine-Structure Splitting.”https://doi.org/10.1364/oe.20.005335__Optics Express 20, no. 5 (2012): 5335–42.https://doi.org/10.1364/oe.20.005335 .
LibreCat: /record/3974
DOI: 10.1364/oe.20.005335

Reichelt, Matthias, Andrea Walther, and Torsten Meier. “Tailoring the High-Harmonic Emission in Two-Level Systems and Semiconductors by Pulse Shaping.”https://doi.org/10.1364/josab.29.000a36__Journal of the Optical Society of America B 29, no. 2 (2012).https://doi.org/10.1364/josab.29.000a36 .
LibreCat: /record/22953
DOI: 10.1364/josab.29.000a36

Gorny, B., Frederik Hankeln, Christian Lauter, H. C. Schmidt, U. Damerow, Rolf Mahnken, H. J. Maier, Thomas Tröster, and Werner Homberg. “Simulation and Manufacturing of Deep Drawn Parts Reinforced by Carbon Fibre Prepregs,” 2012.
LibreCat: /record/15986

Riefer, Arthur, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls, Nora Jenny Vollmers, Rebecca Hölscher, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.”https://doi.org/10.1007/978-3-319-02165-2_8__In High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel, Dietmar H. Kröner, and Michael M. Resch, 93–104. Transactions of the High Performance Computing Center, Stuttgart. Cham: Springer, 2013.https://doi.org/10.1007/978-3-319-02165-2_8 .
LibreCat: /record/18475
DOI: 10.1007/978-3-319-02165-2_8
WoS: 000360004100009

Ardizzone, Vincenzo, Przemyslaw Lewandowski, M. H. Luk, Y. C. Tse, N. H. Kwong, Andreas Lücke, Marco Abbarchi, et al. “Formation and Control of Turing Patterns in a Coherent Quantum Fluid.”https://doi.org/10.1038/srep03016__Scientific Reports, 2013.https://doi.org/10.1038/srep03016 .
LibreCat: /record/15866
DOI: 10.1038/srep03016

Tautz, Raphael, Enrico Da Como, Christian Wiebeler, Giancarlo Soavi, Ines Dumsch, Nils Fröhlich, Giulia Grancini, et al. “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length.”https://doi.org/10.1021/ja309252a__Journal of the American Chemical Society, 2013, 4282–90.https://doi.org/10.1021/ja309252a .
LibreCat: /record/15867
DOI: 10.1021/ja309252a

Luk, M. H., Y. C. Tse, N. H. Kwong, P. T. Leung, Przemyslaw Lewandowski, R. Binder, and Stefan Schumacher. “Transverse Optical Instability Patterns in Semiconductor Microcavities: Polariton Scattering and Low-Intensity All-Optical Switching.”https://doi.org/10.1103/physrevb.87.205307__Physical Review B, 2013.https://doi.org/10.1103/physrevb.87.205307 .
LibreCat: /record/15868
DOI: 10.1103/physrevb.87.205307

Ling, Sanliang, Stefan Schumacher, Ian Galbraith, and Martin J. Paterson. “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes.”https://doi.org/10.1021/jp401359a__The Journal of Physical Chemistry C, 2013, 6889–95.https://doi.org/10.1021/jp401359a .
LibreCat: /record/15870
DOI: 10.1021/jp401359a

Jesser, Anton, Martin Rohrmüller, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking of Copper Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory.”https://doi.org/10.1002/jcc.23449__Journal of Computational Chemistry 35, no. 1–2 (2013): 1–17.https://doi.org/10.1002/jcc.23449 .
LibreCat: /record/13517
DOI: 10.1002/jcc.23449

Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.”https://doi.org/10.1080/00150193.2013.821904__Ferroelectrics 447 (2013): 78–85.https://doi.org/10.1080/00150193.2013.821904 .
LibreCat: /record/13519
DOI: 10.1080/00150193.2013.821904

Sanna, S., S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces.”https://doi.org/10.1103/physrevb.88.115422__Physical Review B 88 (2013).https://doi.org/10.1103/physrevb.88.115422 .
LibreCat: /record/13521
DOI: 10.1103/physrevb.88.115422

Aldahhak, Hazem, Wolf Gero Schmidt, and E. Rauls. “Adsorption of PTCDA on NaCl(100) and KCl(100).”https://doi.org/10.1016/j.susc.2013.08.003__Surface Science 617 (2013): 242–48.https://doi.org/10.1016/j.susc.2013.08.003 .
LibreCat: /record/13522
DOI: 10.1016/j.susc.2013.08.003

Riefer, Arthur, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.”https://doi.org/10.1103/PhysRevB.87.195208__Physical Review B 87, no. 19 (2013).https://doi.org/10.1103/PhysRevB.87.195208 .
LibreCat: /record/13525
DOI: 10.1103/PhysRevB.87.195208
WoS: 000319391000002

Rohrmüller, M., S. Herres-Pawlis, M. Witte, and Wolf Gero Schmidt. “Bis-;c-Oxo and ;c-:-Peroxo Dicopper Complexes Studied within (Time-Dependent) Density-Functional and Many-Body Perturbation Theory.”https://doi.org/10.1002/jcc.23230__Journal of Computational Chemistry 34 (2013): 1035–45.https://doi.org/10.1002/jcc.23230 .
LibreCat: /record/13527
DOI: 10.1002/jcc.23230

George, B. M., J. Behrends, A. Schnegg, T. F. Schulze, M. Fehr, L. Korte, B. Rech, et al. “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells.”https://doi.org/10.1103/physrevlett.110.136803__Physical Review Letters 110, no. 13 (2013).https://doi.org/10.1103/physrevlett.110.136803 .
LibreCat: /record/13528
DOI: 10.1103/physrevlett.110.136803

Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.”https://doi.org/10.1080/00150193.2013.821904__Ferroelectrics 447 (2013): 78–85.https://doi.org/10.1080/00150193.2013.821904 .
LibreCat: /record/13819
DOI: 10.1080/00150193.2013.821904

Liu, Hong, Stefan Schumacher, and Torsten Meier. “Selection Rules and Linear Absorption Spectra of Carbon Nanotubes in Axial Magnetic Fields.”https://doi.org/10.1103/physrevb.88.035429__Physical Review B 88, no. 3 (2013).https://doi.org/10.1103/physrevb.88.035429 .
LibreCat: /record/15871
DOI: 10.1103/physrevb.88.035429

Sanna, Simone, A. Riefer, Sergej Neufeld, Wolf Gero Schmidt, Gerhard Berth, Michael Rüsing, A. Widhalm, and Artur Zrenner. “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals.”https://doi.org/10.1080/00150193.2013.821893__Ferroelectrics 447, no. 1 (2013): 63–68.https://doi.org/10.1080/00150193.2013.821893 .
LibreCat: /record/13520
DOI: 10.1080/00150193.2013.821893

Riesen, Hans, Christian Wiebeler, and Stefan Schumacher. “Optical Spectroscopy of Graphene Quantum Dots: The Case of 2.”https://doi.org/10.1021/jp502753a__The Journal of Physical Chemistry A, 2014, 5189–95.https://doi.org/10.1021/jp502753a .
LibreCat: /record/15861
DOI: 10.1021/jp502753a

Wiebeler, Christian, and Stefan Schumacher. “Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type.”https://doi.org/10.1021/jp506316w__The Journal of Physical Chemistry A, 2014, 7816–23.https://doi.org/10.1021/jp506316w .
LibreCat: /record/15862
DOI: 10.1021/jp506316w

Lewandowski, P., V. Ardizzone, Y. C. Tse, N. H. Kwong, M. H. Luk, A. Lücke, M. Abbarchi, et al. “Formation and Control of Transverse Patterns in a Quantum Fluid of Microcavity Polaritons.”https://doi.org/10.1117/12.2037174__In Ultrafast Phenomena and Nanophotonics XVIII, edited by Markus Betz, Abdulhakem Y. Elezzabi, Jin-Joo Song, and Kong-Thon Tsen, 2014.https://doi.org/10.1117/12.2037174 .
LibreCat: /record/15865
DOI: 10.1117/12.2037174

Graf, Tobias, and Marco Platzner. “Common Fate Graph Patterns in Monte Carlo Tree Search for Computer Go.”https://doi.org/10.1109/CIG.2014.6932863__In 2014 IEEE Conference on Computational Intelligence and Games, 1–8, 2014.https://doi.org/10.1109/CIG.2014.6932863 .
LibreCat: /record/13154
DOI: 10.1109/CIG.2014.6932863

Li, Yanlu, Simone Sanna, and Wolf Gero Schmidt. “Modeling Intrinsic Defects in LiNbO3 within the Slater-Janak Transition State Model.”https://doi.org/10.1063/1.4883737__The Journal of Chemical Physics, 2014.https://doi.org/10.1063/1.4883737 .
LibreCat: /record/10035
DOI: 10.1063/1.4883737

Hölscher, Rebecca, Wolf Gero Schmidt, and Simone Sanna. “Modeling LiNbO3 Surfaces at Ambient Conditions.”https://doi.org/10.1021/jp502936f__The Journal of Physical Chemistry C, 2014, 10213–20.https://doi.org/10.1021/jp502936f .
LibreCat: /record/10036
DOI: 10.1021/jp502936f

Guo, Q., A. Paulheim, M. Sokolowski, Hazem Aldahhak, E. Rauls, and Wolf Gero Schmidt. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface.”https://doi.org/10.1021/jp509663s__The Journal of Physical Chemistry C 118 (2014): 29911–18.https://doi.org/10.1021/jp509663s .
LibreCat: /record/13508
DOI: 10.1021/jp509663s

Oh, Deok Mahn, S. Wippermann, Wolf Gero Schmidt, and Han Woong Yeom. “Oxygen Adsorbates on the Si(111)4×1-In Metallic Atomic Wire: Scanning Tunneling Microscopy and Density-Functional Theory Calculations.”https://doi.org/10.1103/physrevb.90.155432__Physical Review B 90, no. 15 (2014).https://doi.org/10.1103/physrevb.90.155432 .
LibreCat: /record/13509
DOI: 10.1103/physrevb.90.155432

Hoffmann, Alexander, Martin Rohrmüller, Anton Jesser, Ines dos Santos Vieira, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking of Copper(II) Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory (Part II).”https://doi.org/10.1002/jcc.23740__Journal of Computational Chemistry 35, no. 29–30 (2014): 2146–61.https://doi.org/10.1002/jcc.23740 .
LibreCat: /record/13510
DOI: 10.1002/jcc.23740

Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The Atomic Structure of Ternary Amorphous TixSi1xO2hybrid Oxides.”https://doi.org/10.1088/0953-8984/26/25/253201__Journal of Physics: Condensed Matter 26 (2014).https://doi.org/10.1088/0953-8984/26/25/253201 .
LibreCat: /record/13511
DOI: 10.1088/0953-8984/26/25/253201

Gerstmann, Uwe, N. J. Vollmers, A. Lücke, M. Babilon, and Wolf Gero Schmidt. “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.”https://doi.org/10.1103/physrevb.89.165431__Physical Review B 89, no. 16 (2014).https://doi.org/10.1103/physrevb.89.165431 .
LibreCat: /record/13513
DOI: 10.1103/physrevb.89.165431

Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.”https://doi.org/10.1016/j.apsusc.2014.01.104__Applied Surface Science, 2014, 70–78.https://doi.org/10.1016/j.apsusc.2014.01.104 .
LibreCat: /record/13515
DOI: 10.1016/j.apsusc.2014.01.104

Sanna, S., Wolf Gero Schmidt, S. Rode, S. Klassen, and A. Kühnle. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.”https://doi.org/10.1103/physrevb.89.075403__Physical Review B 89, no. 7 (2014).https://doi.org/10.1103/physrevb.89.075403 .
LibreCat: /record/13516
DOI: 10.1103/physrevb.89.075403

Vollbrecht, Joachim, Harald Bock, Christian Wiebeler, Stefan Schumacher, and Heinz-Siegfried Kitzerow. “Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties.”https://doi.org/10.1002/chem.201403287__Chemistry - A European Journal, 2014, 12026–31.https://doi.org/10.1002/chem.201403287 .
LibreCat: /record/15863
DOI: 10.1002/chem.201403287

Driben, Rodislav, and Torsten Meier. “Nonlinear Dynamics of Airy-Vortex 3D Wave Packets: Emission of Vortex Light Waves.”https://doi.org/10.1364/ol.39.005539__Optics Letters 39, no. 19 (2014): 5539–42.https://doi.org/10.1364/ol.39.005539 .
LibreCat: /record/22955
DOI: 10.1364/ol.39.005539

Driben, R., V. V. Konotop, and Torsten Meier. “Coupled Airy Breathers.”https://doi.org/10.1364/ol.39.005523__Optics Letters 39, no. 19 (2014): 5523–26.https://doi.org/10.1364/ol.39.005523 .
LibreCat: /record/22954
DOI: 10.1364/ol.39.005523

Liu, Hong, Stefan Schumacher, and Torsten Meier. “Influence of Coulomb-Induced Band Couplings on Linear Excitonic Absorption Spectra of Semiconducting Carbon Nanotubes.”https://doi.org/10.1103/physrevb.89.155407__Physical Review B 89, no. 15 (2014).https://doi.org/10.1103/physrevb.89.155407 .
LibreCat: /record/15864
DOI: 10.1103/physrevb.89.155407

Driben, R., and Torsten Meier. “Regeneration of Airy Pulses in Fiber-Optic Links with Dispersion Management of the Two Leading Dispersion Terms of Opposite Signs.”https://doi.org/10.1103/physreva.89.043817__Physical Review A 89, no. 4 (2014).https://doi.org/10.1103/physreva.89.043817 .
LibreCat: /record/22958
DOI: 10.1103/physreva.89.043817

Piper, M., A. Zibart, J.M. Tran, and E.Y. Kenig. “Numerical Investigation of Turbulent Forced Convection Heat Transfer in Pillow Plates.”https://doi.org/10.1016/j.ijheatmasstransfer.2015.11.014__International Journal of Heat and Mass Transfer, 2015, 516–27.https://doi.org/10.1016/j.ijheatmasstransfer.2015.11.014 .
LibreCat: /record/23965
DOI: 10.1016/j.ijheatmasstransfer.2015.11.014

Zibart, Alexander, Rositsa Cherkezova, Heikohttps://doi.org/10.1002/cite.201550048__Figge, and Eugeny Kenig. “Optimierung Der Kühlung Eines On-Board-Ladegeräts Für Elektrisch Betriebene Kraftfahrzeuge Mithilfe Der CFD-Methoden,”https://doi.org/10.1002/cite.201550048__2015.https://doi.org/10.1002/cite.201550048 .
LibreCat: /record/23974
DOI: 10.1002/cite.201550048

Di Nuzzo, Daniele, Claudio Fontanesi, Rebecca Jones, Sybille Allard, Ines Dumsch, Ullrich Scherf, Elizabeth von Hauff, Stefan Schumacher, and Enrico Da Como. “How Intermolecular Geometrical Disorder Affects the Molecular Doping of Donor–Acceptor Copolymers.”https://doi.org/10.1038/ncomms7460__Nature Communications, 2015.https://doi.org/10.1038/ncomms7460 .
LibreCat: /record/15857
DOI: 10.1038/ncomms7460

Tse, Y C, Chris K P Chan, M H Luk, N H Kwong, P T Leung, R Binder, and Stefan Schumacher. “A Population-Competition Model for Analyzing Transverse Optical Patterns Including Optical Control and Structural Anisotropy.”https://doi.org/10.1088/1367-2630/17/8/083054__New Journal of Physics, 2015.https://doi.org/10.1088/1367-2630/17/8/083054 .
LibreCat: /record/15858
DOI: 10.1088/1367-2630/17/8/083054

Schmutzler, Johannes, Przemyslaw Lewandowski, Marc Aßmann, Dominik Niemietz, Stefan Schumacher, Martin Kamp, Christian Schneider, Sven Höfling, and Manfred Bayer. “All-Optical Flow Control of a Polariton Condensate Using Nonresonant Excitation.”https://doi.org/10.1103/physrevb.91.195308__Physical Review B, 2015.https://doi.org/10.1103/physrevb.91.195308 .
LibreCat: /record/15859
DOI: 10.1103/physrevb.91.195308

Denis, Jean-Christophe, Stefan Schumacher, Gordon J. Hedley, Arvydas Ruseckas, Paulina O. Morawska, Yue Wang, Sybille Allard, et al. “Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory.”https://doi.org/10.1021/acs.jpcc.5b00680__The Journal of Physical Chemistry C, 2015, 9734–44.https://doi.org/10.1021/acs.jpcc.5b00680 .
LibreCat: /record/15860
DOI: 10.1021/acs.jpcc.5b00680

Reuter, C., Thomas Tröster, and C. Lauter. “Kennwertermittlung an Faserverbundkunststoffen für Crashsimulationen mit dem FE-Solver LS-Dyna,” 127–32. Verlag Stahleisen GmbH, 2015.
LibreCat: /record/16136

Wilfer, Claudia, Patricia Liebhäuser, Alexander Hoffmann, Hannes Erdmann, Oleg Grossmann, Leander Runtsch, Eva Paffenholz, et al. “Efficient Biomimetic Hydroxylation Catalysis with a Bis(Pyrazolyl)Imidazolylmethane Copper Peroxide Complex.”https://doi.org/10.1002/chem.201501685__Chemistry - A European Journal, 2015, 17639–49.https://doi.org/10.1002/chem.201501685 .
LibreCat: /record/16331
DOI: 10.1002/chem.201501685

Graf, Tobias, and Marco Platzner. “Adaptive Playouts in Monte-Carlo Tree Search with Policy-Gradient Reinforcement Learning.”https://doi.org/10.1007/978-3-319-27992-3_1__In Advances in Computer Games: 14th International Conference, ACG 2015, Leiden, The Netherlands, July 1-3, 2015, Revised Selected Papers, 1–11. Springer International Publishing, 2015.https://doi.org/10.1007/978-3-319-27992-3_1 .
LibreCat: /record/13153
DOI: 10.1007/978-3-319-27992-3_1

Nuding, Win, Andreas Klümper, and Ara Sedrakyan. “Localization Length Index and Subleading Corrections in a Chalker-Coddington Model: A Numerical Study.”https://doi.org/10.1103/PhysRevB.91.115107__Physical Review B 91 (2015): 115107.https://doi.org/10.1103/PhysRevB.91.115107 .
LibreCat: /record/13199
DOI: 10.1103/PhysRevB.91.115107

Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser, and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.”https://doi.org/10.1103/physrevb.91.035302__Physical Review B, 2015.https://doi.org/10.1103/physrevb.91.035302 .
LibreCat: /record/10027
DOI: 10.1103/physrevb.91.035302

Braun, Christian, Simone Sanna, and Wolf Gero Schmidt. “Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces.”https://doi.org/10.1021/acs.jpcc.5b00894__The Journal of Physical Chemistry C, 2015, 9342–46.https://doi.org/10.1021/acs.jpcc.5b00894 .
LibreCat: /record/10029
DOI: 10.1021/acs.jpcc.5b00894

Friedrich, Michael, Arthur Riefer, Simone Sanna, Wolf Gero Schmidt, and Arno Schindlmayr. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.”https://doi.org/10.1088/0953-8984/27/38/385402__Journal of Physics: Condensed Matter 27, no. 38 (2015).https://doi.org/10.1088/0953-8984/27/38/385402 .
LibreCat: /record/10030
DOI: 10.1088/0953-8984/27/38/385402
WoS: 000362549700004
PMID: 26337951

Li, Yanlu, Wolf Gero Schmidt, and Simone Sanna. “Defect Complexes in CongruentLiNbO3and Their Optical Signatures.”https://doi.org/10.1103/physrevb.91.174106__Physical Review B, 2015.https://doi.org/10.1103/physrevb.91.174106 .
LibreCat: /record/10031
DOI: 10.1103/physrevb.91.174106

Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.”https://doi.org/10.1016/j.commatsci.2015.03.025__Computational Materials Science, 2015, 145–50.https://doi.org/10.1016/j.commatsci.2015.03.025 .
LibreCat: /record/10033
DOI: 10.1016/j.commatsci.2015.03.025

Müllegger, Stefan, Eva Rauls, Uwe Gerstmann, Stefano Tebi, Giulia Serrano, Stefan Wiespointner-Baumgarthuber, Wolf Gero Schmidt, and Reinhold Koch. “Mechanism for Nuclear and Electron Spin Excitation by Radio Frequency Current.”https://doi.org/10.1103/physrevb.92.220418__Physical Review B 92, no. 22 (2015).https://doi.org/10.1103/physrevb.92.220418 .
LibreCat: /record/13493
DOI: 10.1103/physrevb.92.220418

Aldahhak, Hazem, Wolf Gero Schmidt, and E. Rauls. “Single PTCDA Molecules on Planar and Stepped KCl and NaCl(100) Surfaces.”https://doi.org/10.1016/j.susc.2015.01.013__Surface Science, 2015, 278–81.https://doi.org/10.1016/j.susc.2015.01.013 .
LibreCat: /record/13494
DOI: 10.1016/j.susc.2015.01.013

Aldahhak, Hazem, E. Rauls, and Wolf Gero Schmidt. “Diindenoperylene Adsorption on Cu(111) Studied with Density-Functional Theory.”https://doi.org/10.1016/j.susc.2015.03.007__Surface Science, 2015, 260–65.https://doi.org/10.1016/j.susc.2015.03.007 .
LibreCat: /record/13495
DOI: 10.1016/j.susc.2015.03.007

Edler, F., I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, Wolf Gero Schmidt, and C. Tegenkamp. “Interwire Coupling ForIn(4×1)/Si(111) Probed by Surface Transport.”https://doi.org/10.1103/physrevb.92.085426__Physical Review B 92, no. 8 (2015).https://doi.org/10.1103/physrevb.92.085426 .
LibreCat: /record/13496
DOI: 10.1103/physrevb.92.085426

Baghbanpourasl, Amirreza, Wolf Gero Schmidt, Mariella Denk, Christoph Cobet, Michael Hohage, Peter Zeppenfeld, and Kurt Hingerl. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.”https://doi.org/10.1016/j.susc.2015.07.020__Surface Science 641 (2015): 231–36.https://doi.org/10.1016/j.susc.2015.07.020 .
LibreCat: /record/13497
DOI: 10.1016/j.susc.2015.07.020

Rohrmüller, Martin, Alexander Hoffmann, Christian Thierfelder, Sonja Herres-Pawlis, and Wolf Gero Schmidt. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations.”https://doi.org/10.1002/jcc.23983__Journal of Computational Chemistry 36, no. 21–22 (2015): 1672–85.https://doi.org/10.1002/jcc.23983 .
LibreCat: /record/13498
DOI: 10.1002/jcc.23983

Lücke, A., Wolf Gero Schmidt, E. Rauls, F. Ortmann, and Uwe Gerstmann. “Influence of Structural Defects and Oxidation onto Hole Conductivity in HT.”https://doi.org/10.1021/acs.jpcb.5b03615__The Journal of Physical Chemistry B 119 (2015): 6481–91.https://doi.org/10.1021/acs.jpcb.5b03615 .
LibreCat: /record/13500
DOI: 10.1021/acs.jpcb.5b03615

Klein, C., N. J. Vollmers, Uwe Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into Bi(111) Films.”https://doi.org/10.1103/physrevb.91.195441__Physical Review B 91, no. 19 (2015).https://doi.org/10.1103/physrevb.91.195441 .
LibreCat: /record/13502
DOI: 10.1103/physrevb.91.195441

Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.”https://doi.org/10.1016/j.commatsci.2015.03.025__Computational Materials Science 103 (2015): 145–50.https://doi.org/10.1016/j.commatsci.2015.03.025 .
LibreCat: /record/13504
DOI: 10.1016/j.commatsci.2015.03.025

Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser, and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.”https://doi.org/10.1103/physrevb.91.035302__Physical Review B 91 (2015).https://doi.org/10.1103/physrevb.91.035302 .
LibreCat: /record/13507
DOI: 10.1103/physrevb.91.035302

Neuba, Adam, Martin Rohrmüller, Rebecca Hölscher, Wolf Gero Schmidt, and Gerald Henkel. “A Panel of Peralkylated Sulfur–Guanidine Type Bases: Novel pro-Ligands for Use in Biomimetic Coordination Chemistry.”https://doi.org/10.1016/j.ica.2015.03.015__Inorganica Chimica Acta 430 (2015): 225–38.https://doi.org/10.1016/j.ica.2015.03.015 .
LibreCat: /record/13818
DOI: 10.1016/j.ica.2015.03.015

Driben, Rodislav, Torsten Meier, and Boris A. Malomed. “Creation of Vortices by Torque in Multidimensional Media with Inhomogeneous Defocusing Nonlinearity.”https://doi.org/10.1038/srep09420__Scientific Reports 5 (2015).https://doi.org/10.1038/srep09420 .
LibreCat: /record/13935
DOI: 10.1038/srep09420

Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.”https://doi.org/10.1088/0953-8984/27/44/445501__Journal of Physics: Condensed Matter 27, no. 44 (2015).https://doi.org/10.1088/0953-8984/27/44/445501 .
LibreCat: /record/13922
DOI: 10.1088/0953-8984/27/44/445501

Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.”https://doi.org/10.1088/0953-8984/27/44/445501__Journal of Physics: Condensed Matter 27, no. 44 (2015).https://doi.org/10.1088/0953-8984/27/44/445501 .
LibreCat: /record/22946
DOI: 10.1088/0953-8984/27/44/445501

Podzimski, Reinold, Huynh T. Duc, and Torsten Meier. “Time-Domain Calculations of Shift Currents in Bulk GaAs.”https://doi.org/10.1117/12.2078123__In SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX, edited by Markus Betz, Abdulhakem Y. Elezzabi, and Kong-Thon Tsen, Vol. 9361. SPIE Proceedings. SPIE, 2015.https://doi.org/10.1117/12.2078123 .
LibreCat: /record/22950
DOI: 10.1117/12.2078123

Sanna, Simone, Sergej Neufeld, Michael Rüsing, Gerhard Berth, Artur Zrenner, and Wolf Gero Schmidt. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.”https://doi.org/10.1103/physrevb.91.224302__Physical Review B 91, no. 22 (2015).https://doi.org/10.1103/physrevb.91.224302 .
LibreCat: /record/4332
DOI: 10.1103/physrevb.91.224302

Konoshonkin, Alexander, Anatoli Borovoi, Natalia Kustova, Hajime Okamoto, Hiroshi Ishimoto, Yevgen Grynko, and Jens Förstner. “Light Scattering by Ice Crystals of Cirrus Clouds: From Exact Numerical Methods to Physical-Optics Approximation.”https://doi.org/10.1016/j.jqsrt.2016.12.024__Journal of Quantitative Spectroscopy and Radiative Transfer 195 (2016): 132–40.https://doi.org/10.1016/j.jqsrt.2016.12.024 .
LibreCat: /record/3834
DOI: 10.1016/j.jqsrt.2016.12.024

Grynko, Yevgen, Yuriy Shkuratov, and Jens Förstner. “Light Scattering by Irregular Particles Much Larger than the Wavelength with Wavelength-Scale Surface Roughness.”https://doi.org/10.1364/ol.41.003491__Optics Letters 41, no. 15 (2016): 3491–93.https://doi.org/10.1364/ol.41.003491 .
LibreCat: /record/3843
DOI: 10.1364/ol.41.003491

Konoshonkin, Alexander V., Natalia V. Kustova, Anatoli G. Borovoi, Yevgen Grynko, and Jens Förstner. “Light Scattering by Ice Crystals of Cirrus Clouds: Comparison of the Physical Optics Methods.”https://doi.org/10.1016/j.jqsrt.2016.05.006__Journal of Quantitative Spectroscopy and Radiative Transfer 182 (2016): 12–23.https://doi.org/10.1016/j.jqsrt.2016.05.006 .
LibreCat: /record/3849
DOI: 10.1016/j.jqsrt.2016.05.006

Alberti, Julian, Heiko Linnenbank, Stefan Linden, Yevgen Grynko, and Jens Förstner. “The Role of Electromagnetic Interactions in Second Harmonic Generation from Plasmonic Metamaterials.”https://doi.org/10.1007/s00340-015-6311-x__Applied Physics B 122, no. 2 (2016): 45–50.https://doi.org/10.1007/s00340-015-6311-x .
LibreCat: /record/3886
DOI: 10.1007/s00340-015-6311-x

Zibart, Alexander, Rositsa Cherkezova, Heiko  Figge, and Eugeny Kenig. “Eine Neue Rippengeometrie Zur Verbesserung Des Wärmeübergangs in Flüssigkeitsdurchströmten Kanälen,” 2016.
LibreCat: /record/23975

Bause, Fabian, Jens Rautenberg, Nadine Feldmann, Manuel Webersen, Leander Claes, Hauke Gravenkamp, and Bernd Henning. “Ultrasonic Transmission Measurements in the Characterization of Viscoelasticity Utilizing Polymeric Waveguides.”https://doi.org/10.1088/0957-0233/27/10/105601__Measurement Science and Technology 27, no. 10 (2016).https://doi.org/10.1088/0957-0233/27/10/105601 .
LibreCat: /record/6551
DOI: 10.1088/0957-0233/27/10/105601

Claes, Leander, Thorsten Meyer, Fabian Bause, Jens Rautenberg, and Bernd Henning. “Determination of the Material Properties of Polymers Using Laser-Generated Broadband Ultrasound.”https://doi.org/10.5194/jsss-5-187-2016__Journal of Sensors and Sensor Systems 5, no. 1 (2016): 187–96.https://doi.org/10.5194/jsss-5-187-2016 .
LibreCat: /record/6555
DOI: 10.5194/jsss-5-187-2016

Webersen, Manuel, Sarah Johannesmann, Leander Claes, and Bernd Henning. “Characterization of Continuous-Fiber Reinforced Thermoplastics Using Thermoacoustically Excited Ultrasonic Lamb Waves.” In 2016 IEEE IUS~Proceedings, 2016.
LibreCat: /record/6576

Hanske, Jonas, Stevan Aleksi, Martin Ballaschk, Marcel Jurk, Elena Shanina, Monika Beerbaum, Peter Schmieder, Bettina G. Keller, and Christoph Rademacher. “Intradomain Allosteric Network Modulates Calcium Affinity of the C-Type Lectin Receptor Langerin.”https://doi.org/10.1021/jacs.6b05458__Journal of the American Chemical Society, 2016, 12176–86.https://doi.org/10.1021/jacs.6b05458 .
LibreCat: /record/16954
DOI: 10.1021/jacs.6b05458

Niemietz, Dominik, Johannes Schmutzler, Przemyslaw Lewandowski, Karol Winkler, Marc Aßmann, Stefan Schumacher, Sebastian Brodbeck, et al. “Experimental Realization of a Polariton Beam Amplifier.”https://doi.org/10.1103/physrevb.93.235301__Physical Review B, 2016.https://doi.org/10.1103/physrevb.93.235301 .
LibreCat: /record/15852
DOI: 10.1103/physrevb.93.235301

Yulin, A. V., I. Yu. Chestnov, X. Ma, Stefan Schumacher, U. Peschel, and O. A. Egorov. “Dynamics of Exciton-Polaritons in Discrete Lattices under Incoherent Localized Pumping.”https://doi.org/10.1103/physrevb.94.054312__Physical Review B, 2016.https://doi.org/10.1103/physrevb.94.054312 .
LibreCat: /record/15853
DOI: 10.1103/physrevb.94.054312

Lewandowski, Przemyslaw, Ombline Lafont, Emmanuel Baudin, Chris K. P. Chan, P. T. Leung, Samuel M. H. Luk, Elisabeth Galopin, et al. “Polarization Dependence of Nonlinear Wave Mixing of Spinor Polaritons in Semiconductor Microcavities.”https://doi.org/10.1103/physrevb.94.045308__Physical Review B, 2016.https://doi.org/10.1103/physrevb.94.045308 .
LibreCat: /record/15854
DOI: 10.1103/physrevb.94.045308

Kwong, N. H., C. Y. Tsang, M. H. Luk, Y. C. Tse, P. Lewandowski, Chris K. P. Chan, P. T. Leung, Stefan Schumacher, and R. Binder. “Patterns and Switching Dynamics in Polaritonic Quantum Fluids in Semiconductor Microcavities [Invited].”https://doi.org/10.1364/josab.33.00c153__Journal of the Optical Society of America B, 2016.https://doi.org/10.1364/josab.33.00c153 .
LibreCat: /record/15855
DOI: 10.1364/josab.33.00c153

Vollmers, Nora Jenny, Patrick Müller, Alexander Hoffmann, Sonja Herres-Pawlis, Martin Rohrmüller, Wolf Gero Schmidt, Uwe Gerstmann, and Matthias Bauer. “Experimental and Theoretical High-Energy-Resolution X-Ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State.”https://doi.org/10.1021/acs.inorgchem.6b01704__Inorganic Chemistry, 2016, 11694–706.https://doi.org/10.1021/acs.inorgchem.6b01704 .
LibreCat: /record/16323
DOI: 10.1021/acs.inorgchem.6b01704

Graf, Tobias, and Marco Platzner. “Using Deep Convolutional Neural Networks in Monte Carlo Tree Search.” In Computer and Games, 2016.
LibreCat: /record/13151

Graf, Tobias, and Marco Platzner. “Monte-Carlo Simulation Balancing Revisited.” In IEEE Computational Intelligence and Games, 2016.
LibreCat: /record/13152

Partovi-Azar, Pouya, Matthias Berg, Simone Sanna, and Thomas 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.”https://doi.org/10.1002/qua.25150__International Journal of Quantum Chemistry 116, no. 15 (2016): 1160–65.https://doi.org/10.1002/qua.25150 .
LibreCat: /record/13240
DOI: 10.1002/qua.25150

Köster, Andreas, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, and Thomas D. Kühne. “Assessing the Accuracy of Improved Force-Matched Water Models Derived from Ab Initio Molecular Dynamics Simulations.”https://doi.org/10.1002/jcc.24398__Journal of Computational Chemistry 37, no. 19 (2016): 1828–38.https://doi.org/10.1002/jcc.24398 .
LibreCat: /record/13241
DOI: 10.1002/jcc.24398

Tierney, Kevin, Dario Pacino, and Stefan Voß. “Solving the Pre-Marshalling Problem to Optimality with A* and IDA*.”https://doi.org/10.1007/s10696-016-9246-6__Flexible Services and Manufacturing Journal, 2016, 223–59.https://doi.org/10.1007/s10696-016-9246-6 .
LibreCat: /record/13252
DOI: 10.1007/s10696-016-9246-6

Liebhaber, M., B. Halbig, U. Bass, J. Geurts, Sergej Neufeld, S. Sanna, Wolf Gero Schmidt, et al. “Vibration Eigenmodes of the Au-(5×2)/Si(111) Surface Studied by Raman Spectroscopy and First-Principles Calculations.”https://doi.org/10.1103/physrevb.94.235304__Physical Review B 94, no. 23 (2016).https://doi.org/10.1103/physrevb.94.235304 .
LibreCat: /record/13458
DOI: 10.1103/physrevb.94.235304

Riefer, Arthur, Michael Friedrich, Simone Sanna, Uwe Gerstmann, Arno Schindlmayr, and Wolf Gero Schmidt. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.”https://doi.org/10.1103/PhysRevB.93.075205__Physical Review B 93, no. 7 (2016).https://doi.org/10.1103/PhysRevB.93.075205 .
LibreCat: /record/10024
DOI: 10.1103/PhysRevB.93.075205
WoS: 000370794800004

Friedrich, Michael, Arno Schindlmayr, Wolf Gero Schmidt, and Simone Sanna. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.”https://doi.org/10.1002/pssb.201552576__Physica Status Solidi B 253, no. 4 (2016): 683–89.https://doi.org/10.1002/pssb.201552576 .
LibreCat: /record/10025
DOI: 10.1002/pssb.201552576
WoS: 000374142500015

Timmer, F., R. Oelke, C. Dues, S. Sanna, Wolf Gero Schmidt, M. Franz, S. Appelfeller, M. Dähne, and J. Wollschläger. “Strain-Induced Quasi-One-Dimensional Rare-Earth Silicide Structures on Si(111).”https://doi.org/10.1103/physrevb.94.205431__Physical Review B 94, no. 20 (2016).https://doi.org/10.1103/physrevb.94.205431 .
LibreCat: /record/13475
DOI: 10.1103/physrevb.94.205431

Vollmers, Nora Jenny, Patrick Müller, Alexander Hoffmann, Sonja Herres-Pawlis, Martin Rohrmüller, Wolf Gero Schmidt, Uwe Gerstmann, and Matthias Bauer. “Experimental and Theoretical High-Energy-Resolution X-Ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State.”https://doi.org/10.1021/acs.inorgchem.6b01704__Inorganic Chemistry 55 (2016): 11694–706.https://doi.org/10.1021/acs.inorgchem.6b01704 .
LibreCat: /record/13476
DOI: 10.1021/acs.inorgchem.6b01704

Witte, Matthias, Benjamin Grimm-Lebsanft, Arne Goos, Stephan Binder, Michael Rübhausen, Martin Bernard, Adam Neuba, et al. “Optical Response of the Cu2diamond Core in Cu2II(NGuaS)2Cl2.”https://doi.org/10.1002/jcc.24439__Journal of Computational Chemistry 37, no. 23–24 (2016): 2181–92.https://doi.org/10.1002/jcc.24439 .
LibreCat: /record/13477
DOI: 10.1002/jcc.24439

Speiser, E., N. Esser, S. Wippermann, and Wolf Gero Schmidt. “Surface Vibrational Raman Modes of In:Si(111)(4×1)and(8×2)Nanowires.”https://doi.org/10.1103/physrevb.94.075417__Physical Review B 94, no. 7 (2016).https://doi.org/10.1103/physrevb.94.075417 .
LibreCat: /record/13478
DOI: 10.1103/physrevb.94.075417

Lücke, Andreas, Frank Ortmann, Michel Panhans, Simone Sanna, Eva Rauls, Uwe Gerstmann, and Wolf Gero Schmidt. “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase HT Calculated from First Principles.”https://doi.org/10.1021/acs.jpcb.6b03598__The Journal of Physical Chemistry B 120 (2016): 5572–80.https://doi.org/10.1021/acs.jpcb.6b03598 .
LibreCat: /record/13479
DOI: 10.1021/acs.jpcb.6b03598

Paulheim, A., C. Marquardt, Hazem Aldahhak, E. Rauls, Wolf Gero Schmidt, and M. Sokolowski. “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.”https://doi.org/10.1021/acs.jpcc.6b01956__The Journal of Physical Chemistry C 10 (2016): 11926–37.https://doi.org/10.1021/acs.jpcc.6b01956 .
LibreCat: /record/13480
DOI: 10.1021/acs.jpcc.6b01956

Jeckelmann, Eric, Simone Sanna, Wolf Gero Schmidt, Eugen Speiser, and Norbert Esser. “Grand Canonical Peierls Transition in In/Si(111).”https://doi.org/10.1103/physrevb.93.241407__Physical Review B 93, no. 24 (2016).https://doi.org/10.1103/physrevb.93.241407 .
LibreCat: /record/13481
DOI: 10.1103/physrevb.93.241407

Sanna, S., C. Dues, Wolf Gero Schmidt, F. Timmer, J. Wollschläger, M. Franz, S. Appelfeller, and M. Dähne. “Rare-Earth Silicide Thin Films on the Si(111) Surface.”https://doi.org/10.1103/physrevb.93.195407__Physical Review B 93, no. 19 (2016).https://doi.org/10.1103/physrevb.93.195407 .
LibreCat: /record/13485
DOI: 10.1103/physrevb.93.195407

Witte, M., Uwe Gerstmann, Adam Neuba, G. Henkel, and Wolf Gero Schmidt. “Density Functional Theory of the CuA-like Cu2 Diamond Core in Cu 2II(NGuaS)2Cl2.”https://doi.org/10.1002/jcc.24289__Journal of Computational Chemistry 37 (2016): 1005–18.https://doi.org/10.1002/jcc.24289 .
LibreCat: /record/13487
DOI: 10.1002/jcc.24289

Miccoli, I., F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe, S. Sanna, Wolf Gero Schmidt, and C. Tegenkamp. “Atomic Size Effects Studied by Transport in Single Silicide Nanowires.”https://doi.org/10.1103/physrevb.93.125412__Physical Review B, 2016.https://doi.org/10.1103/physrevb.93.125412 .
LibreCat: /record/13488
DOI: 10.1103/physrevb.93.125412

Tebi, Stefano, Hazem Aldahhak, Giulia Serrano, Wolfgang Schöfberger, Eva Rauls, Wolf Gero Schmidt, Reinhold Koch, and Stefan Müllegger. “Manipulation Resolves Non-Trivial Structure of Corrole Monolayer on Ag(111).”https://doi.org/10.1088/0957-4484/27/2/025704__Nanotechnology 27 (2016).https://doi.org/10.1088/0957-4484/27/2/025704 .
LibreCat: /record/13492
DOI: 10.1088/0957-4484/27/2/025704

Paulheim, A., C. Marquardt, M. Sokolowski, M. Hochheim, T. Bredow, Hazem Aldahhak, E. Rauls, and Wolf Gero Schmidt. “Surface Induced Vibrational Modes in the Fluorescence Spectra of PTCDA Adsorbed on the KCl(100) and NaCl(100) Surfaces.”https://doi.org/10.1039/c6cp05661j__Physical Chemistry Chemical Physics 18 (2016): 32891–902.https://doi.org/10.1039/c6cp05661j .
LibreCat: /record/13815
DOI: 10.1039/c6cp05661j

Yeom, Han Woong, Deok Mahn Oh, Stefan Wippermann, and Wolf Gero Schmidt. “Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array.”https://doi.org/10.1021/acsnano.5b05925__ACS Nano 10 (2016): 810–14.https://doi.org/10.1021/acsnano.5b05925 .
LibreCat: /record/13816
DOI: 10.1021/acsnano.5b05925

Vollbrecht, Joachim, Christian Wiebeler, Adam Neuba, Harald Bock, Stefan Schumacher, and Heinz-Siegfried Kitzerow. “Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet Excitation: Photophysical and Electrochemical Analysis.”https://doi.org/10.1021/acs.jpcc.6b00954__The Journal of Physical Chemistry C, 2016, 7839–48.https://doi.org/10.1021/acs.jpcc.6b00954 .
LibreCat: /record/15856
DOI: 10.1021/acs.jpcc.6b00954

Amrehn, Sabrina, Daniel Berghoff, Andreas Nikitin, Matthias Reichelt, Xia Wu, Torsten Meier, and Thorsten Wagner. “Indium Oxide Inverse Opal Films Synthesized by Structure Replication Method.”https://doi.org/10.1016/j.photonics.2016.02.005__Photonics and Nanostructures - Fundamentals and Applications 19 (2016): 55–63.https://doi.org/10.1016/j.photonics.2016.02.005 .
LibreCat: /record/13917
DOI: 10.1016/j.photonics.2016.02.005

Podzimski, Reinold, Huynh Thanh Duc, Shekhar Priyadarshi, Christian Schmidt, Mark Bieler, and Torsten Meier. “Photocurrents in Semiconductors and Semiconductor Quantum Wells Analyzed by k.p-Based Bloch Equations.”https://doi.org/10.1117/12.2208572__In Ultrafast Phenomena and Nanophotonics XX, edited by Markus Betz and Abdulhakem Y. Elezzabi, Vol. 9746. SPIE Proceedings. SPIE, 2016.https://doi.org/10.1117/12.2208572 .
LibreCat: /record/13918
DOI: 10.1117/12.2208572

Ma, Xuekai, Rodislav Driben, Boris A. Malomed, Torsten Meier, and Stefan Schumacher. “Two-Dimensional Symbiotic Solitons and Vortices in Binary Condensates with Attractive Cross-Species Interaction.”https://doi.org/10.1038/srep34847__Scientific Reports 6 (2016).https://doi.org/10.1038/srep34847 .
LibreCat: /record/13910
DOI: 10.1038/srep34847

Duc, Huynh Thanh, Reinold Podzimski, Shekhar Priyadarshi, Mark Bieler, and Torsten Meier. “Ultrafast Shift and Rectification Photocurrents in GaAs Quantum Wells: Excitation Intensity Dependence and the Importance of Band Mixing.”https://doi.org/10.1103/physrevb.94.085305__Physical Review B 94, no. 8 (2016).https://doi.org/10.1103/physrevb.94.085305 .
LibreCat: /record/22942
DOI: 10.1103/physrevb.94.085305

Lohrenz, J., S. Melzer, C. Ruppert, I. A. Akimov, H. Mariette, Matthias Reichelt, Alexander Trautmann, Torsten Meier, and M. Betz. “Ultrafast Dynamical Response of the Lower Exciton-Polariton Branch in CdZnTe.”https://doi.org/10.1103/physrevb.93.075201__Physical Review B 93, no. 7 (2016).https://doi.org/10.1103/physrevb.93.075201 .
LibreCat: /record/13920
DOI: 10.1103/physrevb.93.075201

Lass, Michael, Thomas Kühne, and Christian Plessl. “Using Approximate Computing in Scientific Codes.” In Workshop on Approximate Computing (AC), 2016.
LibreCat: /record/25

Rüsing, Michael, Simone Sanna, Sergej Neufeld, Gerhard Berth, Wolf Gero Schmidt, Artur Zrenner, H. Yu, Y. Wang, and H. Zhang. “Vibrational Properties of LiNb1xTaxO3 Mixed Crystals.”https://doi.org/10.1103/physrevb.93.184305__Physical Review B, 2016.https://doi.org/10.1103/physrevb.93.184305 .
LibreCat: /record/10026
DOI: 10.1103/physrevb.93.184305

Grynko, Yevgen, and Jens Förstner. “Simulation of Second Harmonic Generation from Photonic Nanostructures Using the Discontinuous Galerkin Time Domain Method.”https://doi.org/10.1007/978-3-319-55438-9_9__In Recent Trends in Computational Photonics, edited by Arti Agrawal, 261–84. Cham: Springer International Publishing, 2017.https://doi.org/10.1007/978-3-319-55438-9_9 .
LibreCat: /record/3836
DOI: 10.1007/978-3-319-55438-9_9

Witschen, Linus Matthias. A Framework for the Synthesis of Approximate Circuits. Universität Paderborn, 2017.
LibreCat: /record/1157

Piper, M., A. Zibart, and E.Y. Kenig. “New Design Equations for Turbulent Forced Convection Heat Transfer and Pressure Loss in Pillow-Plate Channels.”https://doi.org/10.1016/j.ijthermalsci.2017.06.012__International Journal of Thermal Sciences, 2017, 459–68.https://doi.org/10.1016/j.ijthermalsci.2017.06.012 .
LibreCat: /record/23966
DOI: 10.1016/j.ijthermalsci.2017.06.012

Zibart, Alexander, and Eugeny Kenig. “Numerical Investigation of Liquid Falling Film Flow on the Wavy Surface of Vertical Pillow Plates,” 2017.
LibreCat: /record/23970

Dellnitz, Michael, Julian Eckstein, Kathrin Flaßkamp, Patrick Friedel, Christian Horenkamp, Ulrich Köhler, Sina Ober-Blöbaum, Sebastian Peitz, and Sebastian Tiemeyer. “Multiobjective Optimal Control Methods for the Development of an Intelligent Cruise Control.”https://doi.org/10.1007/978-3-319-23413-7_87__In Progress in Industrial Mathematics at ECMI 2014 , 633–41. Cham: Springer International Publishing, 2017.https://doi.org/10.1007/978-3-319-23413-7_87 .
LibreCat: /record/5914
DOI: 10.1007/978-3-319-23413-7_87