Publications of Matthias Scheffler

Carbogno, C., V. Blum, S. Kokott, H. Lederer, A. Marek, F. Merz, M. Rampp, X. Ren and M. Scheffler: Preparing electronic-structure theory for the exascale. In: High-Performance Computing and Data Science in the Max Planck Society. Max Planck Computing and Data Facility, Garching, 47–49 (2021).

Carbogno, C. and M. Scheffler: Identifying novel thermal insulators in material space. In: High-Performance Computing and Data Science in the Max Planck Society. Max Planck Computing and Data Facility, Garching, 42–43 (2021).

Draxl, C., M. Scheidgen, T. Zastrow, R. Ritz, H. Lederer, S. Heinzel and M. Scheffler: The NOMAD Laboratory. In: High-Performance Computing and Data Science in the Max Planck Society. Max Planck Computing and Data Facility, Garching, 50–51 (2021).

Mazheika, A., S.V. Levchenko, L.M. Ghiringhelli and M. Scheffler: Materials for turning greenhouse gases into useful chemicals and fuels: a route identified by high-throughput calculations and artificial intelligence. In: High-Performance Computing and Data Science in the Max Planck Society. Max Planck Computing and Data Facility, Garching, 44–46 (2021).

Draxl, C. and M. Scheffler: Big-Data-Driven Materials Science and its FAIR Data Infrastructure. In: Handbook of Materials Modeling. (Eds.): W. Andreoni and S. Yip. Springer, Cham, 49–73 (2020).

Jacobsen, K.W. and M. Scheffler: The role of data and artificial intelligence. In: Research needs towards sustainable production of fuels and chemicals. Energy-X, Grenoble, 79–90 (2019).

Michaelides, A. and M. Scheffler: An Introduction to the Theory of Crystalline Elemental Solids and their Surfaces. In: Surface and Interface Science: Concepts and Methods. (Ed.): K. Wandelt. Wiley-VCH, Weinheim, 13–72 (2012).

Pentcheva, R., N. Mulakaluri, W. Moritz, W.E. Pickett, H.-G. Kleinhenz and M. Scheffler: Compensation mechanisms and functionality of transition metal oxide surfaces and Interfaces: A density functional theory study. In: High Performance Computing in Science and Engineering. (Eds.): S. Wagner, M. Steinmetz, A. Bode, and M. Brehm. Springer, Berlin, 709–717 (2009).

Schindlmayr, A. and M. Scheffler: Quasiparticle calculations for point defects at semiconductor surfaces. In: Theory of Defects in Semiconductors. (Eds.): D.A. Drabold and S.K. Estreicher. (Topics in Applied Physics, Vol. 104). Springer, Berlin Heidelberg, 165–192 (2007).

Reuter, K., C. Stampfl and M. Scheffler: Ab initio atomistic thermodynamics and statistical mechanics of surface properties and functions. In: Handbook of Materials Modeling. (Ed.): S. Yip. Springer, Dordrecht, 149–194 (2005).

Fichthorn, K.A., M.L. Merrick, R. Pentcheva and M. Scheffler: Island nucleation in metal thin-film growth. In: Atomistic Aspects of Epitaxial Growth. (Eds.): M. Kotrla, N.I. Papanicolaou, D.D. Vvedensky, and L.T. Wille. Kluwer, Dordrecht, 87–97 (2002).

Scheffler, M. and P. Kratzer: Ab inito thermodynamics and statistical mechanics of diffusion, growth, and self-assembly of quantum dots. In: Atomistic Aspects of Epitaxial Growth. (Eds.): M. Kotrla, N.I. Papanicolaou, D.D. Vvedensky, and L.T. Wille. (NATO Science Series II: Mathematics, Physics and Chemistry, Vol. 65). Kluwer, The Netherlands, 355–369 (2002).

Fichthorn, K.A. and M. Scheffler: Substrate-mediated interaction on Ag(111) surfaces from first principles. In: Collective diffusion on surfaces: correlation effects and adatom interactions. (Eds.): M.C. Tringides and Z. Chvoj. (NATO science series: 2, Mathematics, physics and chemistry, Vol. 29). Kluwer, Dordrecht, 225–236 (2001).

Schwarz, G., J. Neugebauer and M. Scheffler: Point defects on III-V semiconductor surfaces. In: Proceedings of the 25th International Conference on the Physics of Semiconductors: Osaka, Japan, September 17 - 22, 2000. (Eds.): N. Miura and T. Ando. (Springer proceedings in physics, Vol. 87). Springer, Berlin, 1377–1380 (2001).

Scheffler, M. and C. Stampfl: Theory of Adsorption on Metal Substrates. In: Electronic Structure. (Eds.): K. Horn and M. Scheffler. (Handbook of Surface Science, Vol. 2). Elsevier, Amsterdam, 286–356 (2000).

Ratsch, C., P. Ruggerone and M. Scheffler: Study of strain and temperature dependence of metal epitaxy. In: Morphological Organization in Epitaxial Growth and Removal. (Eds.): Z. Zhang and M.G. Lagally. (Series on directions in condensed matter physics, Vol. 14). World Scientific, Singapore, 3–29 (1998).

Ratsch, C., P. Ruggerone and M. Scheffler: Density-functional theory of surface diffusion and epitaxial growth of metals. In: Surface Diffusion: Atomistic and Collective Processes. (Ed.): M.C. Tringides. (NATO ASI Series B: Physics, Vol. 360). Springer, Berlin, 83–101 (1997).

Ruggerone, P., C. Ratsch and M. Scheffler: Density-functional theory of epitaxial growth of metals. In: Growth and properties of ultrathin epitaxial layers. (Eds.): D.A. King and D.P. Woodruff. (The chemical physics of solid surfaces, Vol. 8). Elsevier, Amsterdam, 490–544 (1997).

Scheffler, M., V. Fiorentini and S. Oppo: Homoepitaxial growth of metals and the role of surfactants. In: Surface science: principles and current applications ; [based on invited lectures presented ... at the German-Australian Workshop on Surface Science held at Schloß Ringberg, Tegernsee, Germany, in January 1994]. (Eds.): R.J. MacDonald, E.C. Taglauer, and K.R. Wandelt. Springer, Berlin, 219–231 (1996).

Pankratov, O. and M. Scheffler: Clustering and Correlations on GaAs - Metal Interface. In: Semiconductor Interfaces at the Sub-Nanometer Scale. (Eds.): H.W.M. Salemink and M.D. Pashley. (NATO ASI Series E: Applied Sciences, Vol. 243). Springer, Dordrecht, 121–126 (1993).