Publications of Matthias Scheffler

Thesis - PhD (34)

2004
Thesis - PhD
M. Todorova: Oxidation of Palladium Surfaces. Technische Universität Berlin
2002
Thesis - PhD
J.L.F. Da Silva: The nature and behavior of rare-gas atoms on metal surfaces. Technische Universität Berlin Berlin
Thesis - PhD
E. Penev: On the theory of surface diffusion in InAs/GaAs(001) heteroepitaxy. Technische Universität Berlin
2001
Thesis - PhD
S. Lorenz: Reactions on surfaces with neural networks. Technische Universität Berlin
2000
Thesis - PhD
A.P. Seitsonen: Theoretical investigations into adsorption and co-adsorption on transition-metal surfaces as models to heterogenous catalysis. Technische Universität Berlin
1999
Thesis - PhD
M. Petersen: Dichtefunktionaltheoretische Untersuchung zur Wechselwirkung von H, He und Ne mit Metalloberflächen. Technische Universität Berlin
1978
Thesis - PhD
M. Scheffler: Winkelaufgelöste Photoemission von adsorbierten Schichten. Technische Universität Berlin
Thesis - PhD
M. Scheffler: Winkelaufgelöste Photoemission von Adsorbatsystemen. Technische Universität Berlin Berlin

Thesis - Diploma (1)

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

Thesis - Master (5)

2022
Thesis - Master
B. Zhao: Identifying descriptors for the in-silico, high-throughput discovery of the thermal insulators for thermoelectric applications. Technische Universität Darmstadt
2021
Thesis - Master
B. Lim: Discussion, implementation and demonstration of AI-guided active workflows. Technische Universität Darmstadt
Thesis - Master
M. Oehlers: Identifying exceptional data points in materials science using machine learning. Technische Universität Berlin
2016
Thesis - Master
H.-H. Kowalski: First-principles Study of Thermoelectric Magnesium Silicides with High-Throughput Techniques. Technische Universität Berlin
Thesis - Master
E. Ahmetcik: Machine Learning of the Stability of Octet Binaries. Technische Universität Berlin

Thesis - Bachelor (1)

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

Working Paper (10)

2022
Working Paper
V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky, S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi, M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott, T.D. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl, L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P. Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu and D. Perez: Roadmap on Electronic Structure Codes in the Exascale Era., in press.
Working Paper
L. Sbailò, Á. Fekete, L.M. Ghiringhelli and M. Scheffler: The NOMAD Artificial-Intelligence Toolkit: Turning materials-science data into knowledge and understanding., in press.
Working Paper
L.M. Ghiringhelli, C. Baldauf, T. Bereau, S. Brockhauser, C. Carbogno, J. Chamanara, S. Cozzini, S. Curtarolo, C. Draxl, S. Dwaraknath, Á. Fekete, J. Kermode, C.T. Koch, M. Kühbach, A.N. Ladines, P. Lambrix, M.-O. Lenz-Himmer, S.V. Levchenko, M. Oliveira, A. Michalchuk, R. Miller, B. Onat, P. Pavone, G. Pizzi, B. Regler, G.-M. Rignanese, J. Schaarschmidt, M. Scheidgen, A. Schneidewind, T. Sheveleva, C. Su, D. Usvyat, O. Valsson, C. Wöll and M. Scheffler: Shared Metadata for Data-Centric Materials Science., in press.
2021
Working Paper
J. Dean, M. Scheffler, T. Purcell, S.V. Barabash, R. Bhowmik and T. Bazhirov: Interpretable Machine Learning for Materials Design., in press.
Working Paper
M. Boley and M. Scheffler: Learning Rules for Materials Properties and Functions., in press.
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