Publications of Matthias Scheffler

Book (4)

Book
D. Demtröder, O. Deutschmann, B. Eck, R. Gläser, L. Goosen, J.-D. Grunwaldt, R. Krähnert, U. Kragl, W. Leitner, G. Mestl, K. Reuter, F. Rosowski, A. Schäfer, M. Scheffler, R. Schlögl, F. Schüth, S.A. Schunk, F. Studt, K. Wagemann and C. Wöll: White Paper: The Digitalization of Catalysis-Related Sciences. German Catalysis Society (GeCatS), Frankfurt am Main (2019).
Book
Scheffler, M. and P. Weinberger (Eds.): Walter Kohn - Personal Stories and Anecdotes Told by Friends and Collaborators. Springer, Berlin (2003).
Book
Horn, K. and M. Scheffler (Eds.): Electronic Structure. (Handbook of Surface Science, Vol. 2). Elsevier, Amsterdam (2000).

Book Chapter (26)

Book Chapter
C. Carbogno, 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).
Book Chapter
C. Carbogno 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).
Book Chapter
C. Draxl, 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).
Book Chapter
A. Mazheika, 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).
Book Chapter
H.-J. Bungartz, C. Carbogno, M. Galgon, T. Huckle, S. Köcher, H.-H. Kowalski, P. Kus, B. Lang, H. Lederer, V. Manin, A. Marek, K. Reuter, M. Rippl, M. Scheffler and C. Scheurer: ELPA: A parallel solver for the generalized eigenvalue problem. In: Parallel Computing: Technology Trends. (Advances in Parallel Computing, Vol. 36). IOS Press, Amsterdam, 647–668 (2020).
Book Chapter
C. Draxl and M. Scheffler: Big-Data-Driven Materials Science and its FAIR Data Infrastructure. In: Handbook of Materials Modeling. (Eds.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>W. Andreoni</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>S. Yip</span></span> Springer, Cham, 49–73 (2020).
Book Chapter
K.W. Jacobsen 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).
Book Chapter
A. Michaelides and M. Scheffler: An Introduction to the Theory of Crystalline Elemental Solids and their Surfaces. In: Surface and Interface Science: Concepts and Methods. (Ed.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>K. Wandelt</span></span> Wiley-VCH, Weinheim, 13–72 (2012).
Book Chapter
R. Pentcheva, 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.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>S. Wagner</span></span> <span style="font-style: normal; font-weight: normal"><span class='author_name'>M. Steinmetz</span></span> <span style="font-style: normal; font-weight: normal"><span class='author_name'>A. Bode</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>M. Brehm</span></span> Springer, Berlin, 709–717 (2009).
Book Chapter
A. Schindlmayr and M. Scheffler: Quasiparticle calculations for point defects at semiconductor surfaces. In: Theory of Defects in Semiconductors. (Eds.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>D.A. Drabold</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>S.K. Estreicher</span></span> (Topics in Applied Physics). Springer, Berlin Heidelberg, 165–192 (2007).
Book Chapter
K. Reuter, C. Stampfl and M. Scheffler: Ab initio atomistic thermodynamics and statistical mechanics of surface properties and functions. In: Handbook of Materials Modeling. (Ed.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>S. Yip</span></span> Springer, Dordrecht, 149–194 (2005).
Book Chapter
K.A. Fichthorn, M.L. Merrick, R. Pentcheva and M. Scheffler: Island nucleation in metal thin-film growth. In: Atomistic Aspects of Epitaxial Growth. (Eds.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>M. Kotrla</span></span> <span style="font-style: normal; font-weight: normal"><span class='author_name'>N.I. Papanicolaou</span></span> <span style="font-style: normal; font-weight: normal"><span class='author_name'>D.D. Vvedensky</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>L.T. Wille</span></span> Kluwer, Dordrecht, 87–97 (2002).
Book Chapter
M. Scheffler 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.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>M. Kotrla</span></span> <span style="font-style: normal; font-weight: normal"><span class='author_name'>N.I. Papanicolaou</span></span> <span style="font-style: normal; font-weight: normal"><span class='author_name'>D.D. Vvedensky</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>L.T. Wille</span></span> (NATO Science Series II: Mathematics, Physics and Chemistry). Kluwer, The Netherlands, 355–369 (2002).
Book Chapter
K.A. Fichthorn and M. Scheffler: Substrate-mediated interaction on Ag(111) surfaces from first principles. In: Collective diffusion on surfaces: correlation effects and adatom interactions. (Eds.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>M.C. Tringides</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>Z. Chvoj</span></span> (NATO science series: 2, Mathematics, physics and chemistry). Kluwer, Dordrecht, 225–236 (2001).
Book Chapter
G. Schwarz, 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.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>N. Miura</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>T. Ando</span></span> (Springer proceedings in physics). Springer, Berlin, 1377–1380 (2001).
Book Chapter
M. Scheffler and C. Stampfl: Theory of Adsorption on Metal Substrates. In: Electronic Structure. (Eds.): <span style="font-style: normal; font-weight: normal"><a rel="nofollow" class="author_name" href="/publication-search/784497?person=%2Fpersons%2Fresource%2Fpersons21640">K. Horn</a></span> and <span style="font-style: normal; font-weight: normal"><a rel="nofollow" class="author_name" href="/publication-search/784497?person=%2Fpersons%2Fresource%2Fpersons22064">M. Scheffler</a></span> (Handbook of Surface Science). Elsevier, Amsterdam, 286–356 (2000).
Book Chapter
C. Ratsch, P. Ruggerone and M. Scheffler: Study of strain and temperature dependence of metal epitaxy. In: Morphological Organization in Epitaxial Growth and Removal. (Eds.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>Z. Zhang</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>M.G. Lagally</span></span> (Series on directions in condensed matter physics). World Scientific, Singapore, 3–29 (1998).
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