Publikationen von Sebastian Matera

Dortaj, S. und S. Matera: Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs-von Mises distance. The Journal of Chemical Physics 159 (9), 094110 (2023).

Lai, K.C., S. Matera, C. Scheurer und K. Reuter: A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of Chemical Physics 159 (2), 024129 (2023).

Brösigke, G., J.-U. Repke, R. Schomäcker und S. Matera: The closer the better? Theoretical assessment of the impact of catalytic site separation for bifunctional core-shell catalyst particles. Chemical Engineering Journal 446 (1), 136891 (2022).

Matera, S., H. Meskine und K. Reuter: Adlayer inhomogeneity without lateral interactions: Rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo. The Journal of Chemical Physics 134, 064713 (2011).

Matera, S. und K. Reuter: Transport limitations and bistability for in situ CO oxidation at RuO₂(110): First-principles based multiscale modeling. Physical Review B 82 (08), 085446 (2010).

Matera, S. und K. Reuter: First-principles approach to heat and mass transfer effects in model catalyst studies. Catalysis Letters 133 (1-2), 156–159 (2009).

Meskine, H., S. Matera, M. Scheffler, K. Reuter und H. Metiu: Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations. Surface Science 603 (10-12), 1724–1730 (2009).

Matera, S., C. Merdon und D. Runge: Reduced Basis Approach for Convection-Diffusion Equations with Non-linear Boundary Reaction Conditions. In: Finite Volumes for Complex Applications X-Volume 1, Elliptic and Parabolic Problems. (Hrsg.): E. Franck, J. Fuhrmann, V. Michel-Dansac, und L. Navoret. (Springer Proceedings in Mathematics & Statistics, Vol. 432). Springer, Cham, 335–343 (2023).

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Döpking, S.: Error aware analysis of multi-scale reactivity models for chemical surface reactions. Freie Universität Berlin

Matera, S.: A First-Principles Based Multiscale Approach from the Electronic to the Continuum Regime: CO Oxidation at RuO2(110). Technische Universität Berlin Berlin