Publications of Wolf Gero Schmidt

Schmidt, W. G.; Albrecht, M.; Wippermann, S. M.; Blankenburg, S.; Rauls, E.: LiNbO₃ ground- and excited-state properties from first-principles calculations. Physical Review B 77, 035106 (2008)

Wippermann, S. M.; Schmidt, W. G.; Calzolari, A.; Nardelli, M. B. U.; Stekolnikov, A. A.; Seino, K.; Bechstedt, F.: Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science 601 (18), pp. 4045 - 4047 (2007)

Stekolnikov, A. A.; Seino, K.; Bechstedt, F.; Wippermann, S. M.; Schmidt, W. G.; Calzolari, A.; Nardelli, M. B. U.: Hexagon versus trimer formation in in nanowires on Si(111): Energetics and quantum conductance. Physical Review Letters 98 (2), 026105 (2007)

Schmidt, W. G.; Wippermann, S. M.; Rauls, E.; Gerstmann, U.; Sanna, S.; Thierfelder, C.; Landmann, M.; dos Santos, L. S.: Si(111)-In Nanowire Optical Response from Large-scale Ab Initio Calculations. In: High Performance Computing in Science and Engineering 2010, pp. 149 - 158. 14th Annual Results and Review Workshop on High Performance Computing in Science and Engineering, Stuttgart University, Stuttgart, Germany, October 04, 2010 - October 05, 2010. Springer-Verlag Berlin, Berlin, Germany (2011)

Schmidt, W. G.; Blankenburg, S.; Rauls, E.; Wippermann, S. M.; Gerstmann, U.; Sanna, S.; Thierfelder, C.; Koch, N.; Landmann, M.: Understanding Long-range Indirect Interactions Between Surface Adsorbed Molecules. In: High Performance Computing in Science and Engineering 2009, pp. 75 - 84. 12th Results and Review Workshop on High Performance Computing in Science and Engineering, Stuttgart University , Stuttgart, Germany, October 08, 2009 - October 09, 2009. (2010)

Wippermann, S. M.; Koch, N.; Blankenburg, S.; Gerstmann, U.; Sanna, S.; Rauls, E.; Hermann, A. M.; Schmidt, W. G.: Understanding Electron Transport in Atomic Nanowires from Large-Scale Numerical Calculations. In: High Performance Computing on Vector Systems 2009, pp. 233 - 242. 10th Teraflop Workshop, HLRS, Stuttgart, Germany, March 16, 2009 - March 17, 2009. (2010)

Wippermann, S. M.; Schmidt, W. G.; Bechstedt, F.; Chandola, S.; Hinrichs, K.; Gensch, M.; Esser, N. N.; Fleischer, K.; McGilp, J. F.: Optical anisotropy of Si(111)-( 4x1)/( 8x2)-In nanowires calculated from first-principles. In: Physica Status Solidi C, Vol. 7, pp. 133 - 136. 12th International Conference on Formation of Semiconductor Interfaces, Weimar, Germany, July 05, 2009 - July 10, 2009. Wiley-VCH, Weinheim (2010)

Wippermann, S. M.; Schmidt, W. G.; Thissen, P.; Grundmeier, G.: Dissociative and molecular adsorption of water on alpha-Al₂O₃(0001). In: Physica Status Solidi C, Vol. 7, pp. 137 - 140. 12th International Conference on Formation of Semiconductor Interfaces, Weimar, Germany, July 05, 2009 - July 10, 2009. Wiley-VCH, Weinheim (2010)

Schmidt, W. G.; Blankenburg, S.; Wippermann, S. M.; Hermann, A. M.; Hahn, P.; Preuss, M.; Seino, K.; Bechstedt, F.: Anomalous water optical absorption: Large-scale first-principles simulations. In: High Performance Computing in Science and Engineering '06, pp. 49 - 58. 9th Results and Review Workshop on High Performance Computing in Science and Engineering, Stuttgart University, Stuttgart, Germany, October 19, 2006 - October 20, 2006. (2007)

Wippermann, S. M.; Schmidt, W. G.; Oh, D. M.; Yeom, H. W.: Impurity-mediated early condensation of an atomic layer electronic crystal: oxygen-adsorbed In/Si(111)-(4×1)/(8×2). DPG Spring Meeting 2015, Berlin, Germany (2015)

Wippermann, S. M.; Schmidt, W. G.: In/Si(111)-(4×1)/(8×2): a fascinating model system for one-dimensional conductors. DPG March Meeting 2014, Berlin, Germany (2014)

Wippermann, S. M.; Schmidt, W. G.: In/Si(111)-(4x1)/(8x2): A fascinating model system for one-dimensional conductors. DPG Spring Meeting, Dresden, Germany (2014)

Wippermann, S. M.; Blankenburg, S.; Schmidt, W. G.: Large-scale numerical calculations for understanding the properties of materials. 9th Teraflop Workshop, Sendai, Japan (2008)

Nugraha, T. A.; Gerstmann, U.; Schmidt, W. G.; Wippermann, S. M.: Understanding 3C-SiC/SiO₂ interfaces in SiC-nanofiber based solar cells from ab initio theory. PSI-K 2015 Conference , San Sebastian, Spain (2015)

Wippermann, S. M.; Edler, F.; Miccoli, I.; Demuth, S.; Pfnür, H. E.; Lücke, A.; Oh, D. M.; Yeom, H. W.; Schmidt, W. G.; Tegenkamp, C.: Oxygen adsorbed In/Si(111)-(4x1)/(8x2): surface transport and and impurity-mediated early condensation of an atomic layer electronic crystal. PSI-K 2015 Conference , San Sebastian, Spain (2015)

Wippermann, S. M.; Oh, D. M.; Yeom, H. W.; Schmidt, W. G.: Oxygen adsorption on the In/Si(111) nanowire array: structure and influence on metal insulator transition. DPG Spring Meeting, Dresden, Germany (2014)

Aydin, U.: Interstitial solution enthalpies derived from rst-principles: Knowledge Discovery using High-Throughput Databases. Dissertation, Universität Paderborn, Fakultät für Naturwissenschaften, Paderborn, Germany (2016)