Publications of Matthias Scheffler

Elsässer, T.; Grötschel, M.; Scheffler, M.; Ullrich, J. H.; Blanckenburg, F. v.: Open Research Data in Naturwissenschaften und Mathematik: Empfehlungen der mathematisch-naturwissenschaftlichen Klasse der BBAW. Berlin-Brandenburgischen Akademie der Wissenschaften, Berlin (2022), 11 pp.

Demtröder, D.; Deutschmann, O.; Eck, B.; Gläser, R.; Goosen, L.; Grunwaldt, J.-D.; Krähnert, R.; Kragl, U.; Leitner, W.; Mestl, G. et al.; Reuter, K.; Rosowski, F.; Schäfer, A.; Scheffler, M.; Schlögl, R.; Schüth, F.; Schunk, S. A.; Studt, F.; Wagemann, K.; Wöll, C.: White Paper: The Digitalization of Catalysis-Related Sciences. German Catalysis Society (GeCatS), Frankfurt am Main (2019), 27 pp.

Scheffler, M.; Weinberger, P. (Eds.): Walter Kohn - Personal Stories and Anecdotes Told by Friends and Collaborators. Springer, Berlin (2003), 309 pp.

Horn, K.; Scheffler, M. (Eds.): Electronic Structure. Elsevier, Amsterdam (2000), 1058 pp.

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

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

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

Mazheika, A.; Levchenko, S. V.; Ghiringhelli, L. M.; Scheffler, M.: 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, pp. 44 - 46. Max Planck Computing and Data Facility, Garching (2021)

Bungartz, H.-J.; Carbogno, C.; Galgon, M.; Huckle, T.; Köcher, S.; Kowalski, H.-H.; Kus, P.; Lang, B.; Lederer, H.; Manin, V. et al.; Marek, A.; Reuter, K.; Rippl, M.; Scheffler, M.; Scheurer, C.: ELPA: A parallel solver for the generalized eigenvalue problem. In: Parallel Computing: Technology Trends, Vol. 36, pp. 647 - 668. IOS Press, Amsterdam (2020)

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

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

Michaelides, A.; Scheffler, M.: An Introduction to the Theory of Crystalline Elemental Solids and their Surfaces. In: Surface and Interface Science: Concepts and Methods, Vol. 1, pp. 13 - 72 (Ed. Wandelt, K.). Wiley-VCH, Weinheim (2012)

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

Schindlmayr, A.; Scheffler, M.: Quasiparticle calculations for point defects at semiconductor surfaces. In: Theory of Defects in Semiconductors, pp. 165 - 192 (Eds. Drabold, D. A.; Estreicher, S. K.). Springer, Berlin Heidelberg (2007)

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

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

Scheffler, M.; Kratzer, P.: Ab inito thermodynamics and statistical mechanics of diffusion, growth, and self-assembly of quantum dots. In: Atomistic Aspects of Epitaxial Growth, pp. 355 - 369 (Eds. Kotrla, M.; Papanicolaou, N.I.; Vvedensky, D.D.; Wille, L.T.). Kluwer, The Netherlands (2002)

Fichthorn, K. A.; Scheffler, M.: Substrate-mediated interaction on Ag(111) surfaces from first principles. In: Collective diffusion on surfaces: correlation effects and adatom interactions, pp. 225 - 236 (Eds. Tringides, M. C.; Chvoj, Z.). Kluwer, Dordrecht (2001)

Schwarz, G.; Neugebauer, J.; Scheffler, M.: 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, pp. 1377 - 1380 (Eds. Miura, N.; Ando, T.). Springer, Berlin (2001)

Scheffler, M.; Stampfl, C.: Theory of Adsorption on Metal Substrates. In: Electronic Structure, pp. 286 - 356 (Eds. Horn, K.; Scheffler, M.). Elsevier, Amsterdam (2000)