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