Publications of Matthias Scheffler

Thesis - PhD (29)

Thesis - PhD
Penev, E.: On the theory of surface diffusion in InAs/GaAs(001) heteroepitaxy. Dissertation, Technische Universität, Berlin (2002)
Thesis - PhD
Lorenz, S.: Reactions on surfaces with neural networks. Dissertation, Technische Universität, Berlin (2001)
Thesis - PhD
Seitsonen, A. P.: Theoretical investigations into adsorption and co-adsorption on transition-metal surfaces as models to heterogenous catalysis. Dissertation, Technische Universität, Berlin (2000)
Thesis - PhD
Petersen, M.: Dichtefunktionaltheoretische Untersuchung zur Wechselwirkung von H, He und Ne mit Metalloberflächen. Dissertation, Technische Universität, Berlin (1999)
Thesis - PhD
Scheffler, M.: Winkelaufgelöste Photoemission von adsorbierten Schichten. Dissertation, Technische Universität, Berlin (1978)
Thesis - PhD
Scheffler, M.: Winkelaufgelöste Photoemission von Adsorbatsystemen. Dissertation, Technische Universität Berlin, Berlin (1978)

Thesis - Diploma (1)

Thesis - Diploma
Cao, J.: Polymerization of Carbon Nitride - experimental and theoretical investigation. Diploma, Freie Universität, Berlin (2006)

Thesis - Master (2)

Thesis - Master
Kowalski, H.-H.: First-principles Study of Thermoelectric Magnesium Silicides with High-Throughput Techniques. Master, Technische Universität, Berlin (2016)
Thesis - Master
Ahmetcik, E.: Machine Learning of the Stability of Octet Binaries. Master, Technische Universität, Berlin (2016)

Thesis - Bachelor (1)

Thesis - Bachelor
Müller, P. M.: Thermal Conductivities of Group IV and Group III-V Compound Semiconductors from First Principles. Bachelor, Technische Universität, Berlin (2018)

Working Paper (11)

Working Paper
Sbailò, L.; Fekete, Á.; Ghiringhelli, L. M.; Scheffler, M.: The NOMAD Artificial-Intelligence Toolkit: Turning materials-science data into knowledge and understanding. (2022)
Working Paper
Ghiringhelli, L. M.; Baldauf, C.; Bereau, T.; Brockhauser, S.; Carbogno, C.; Chamanara, J.; Cozzini, S.; Curtarolo, S.; Draxl, C.; Dwaraknath, S. et al.; Fekete, Á.; Kermode, J.; Koch, C. T.; Kühbach, M.; Ladines, A. N.; Lambrix, P.; Lenz-Himmer, M.-O.; Levchenko, S. V.; Oliveira, M.; Michalchuk, A.; Miller, R.; Onat, B.; Pavone, P.; Pizzi, G.; Regler, B.; Rignanese, G.-M.; Schaarschmidt, J.; Scheidgen, M.; Schneidewind, A.; Sheveleva, T.; Su, C.; Usvyat, D.; Valsson, O.; Wöll, C.; Scheffler, M.: Shared Metadata for Data-Centric Materials Science. (2022)
Working Paper
Moerman, E.; Hummel, F.; Grüneis, A.; Irmler, A.; Scheffler, M.: Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions. (2022)
Working Paper
Dean, J.; Scheffler, M.; Purcell, T.; Barabash, S. V.; Bhowmik, R.; Bazhirov, T.: Interpretable Machine Learning for Materials Design. (2021)
Working Paper
Boley, M.; Scheffler, M.: Learning Rules for Materials Properties and Functions. (2021)
Working Paper
Regler, B.; Scheffler, M.; Ghiringhelli, L. M.: TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions. (2020)
Working Paper
Mazheika, A.; Wang, Y.; Valero, R.; Ghiringhelli, L. M.; Vines, F.; Illas, F.; Levchenko, S. V.; Scheffler, M.: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces. (2019)
Working Paper
Kloppenburg, J.; Nemec, L.; Lange, B.; Scheffler, M.; Blum, V.: The (3×3)-SiC-(¯1¯1¯1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search. (2019)
Working Paper
Acosta, C. M.; Ouyang, R.; Fazzio, A.; Scheffler, M.; Ghiringhelli, L. M.; Carbogno, C.: Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing. (2018)
Working Paper
Nieminen, R. M.; Bonella, S.; Drury, L.; Scheffler, M.; Molinari, E.: Three European Centers of Excellence in Computational Science. Psi-k Scientific Highlight Of The Month (133) pp. 1 - 13 (2016), 13 pp.
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