Publications of Sebastian Matera
All genres
Journal Article (12)
2025
Journal Article
Hülser, Tobias, , and Sebastian Matera: Multilevel on-the-fly sparse grids for coupling coarse-grained and high fidelity models in heterogeneous catalysis.
Journal Article
Lai, King Chun, Patricia Poths, Sebastian Matera, Christoph Scheurer and Karsten Reuter: Automatic Process Exploration through Machine Learning Assisted Transition State Searches.
Journal Article
Poths, Patricia, King Chun Lai, Francesco Cannizzaro, Christoph Scheurer, Sebastian Matera and Karsten Reuter: ML-Accelerated Automatic Process Exploration Reveals Facile O-Induced Pd Step-Edge Restructuring on Catalytic Time Scales.
Journal Article
, Sebastian Matera, , , , and : Reduced order CFD modeling approach based on the asymptotic expansion-An application for heterogeneous catalytic systems.
2024
Journal Article
, , , , , , , , Sebastian Matera, , and : Core-Shell catalyst particles for tandem catalysis: An experimental/numerical approach towards optimal design.
2023
Journal Article
Dortaj, Sina and Sebastian Matera: Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs-von Mises distance.
Journal Article
Lai, King Chun, Sebastian Matera, Christoph Scheurer and Karsten Reuter: A fuzzy classification framework to identify equivalent atoms in complex materials and molecules.
2022
Journal Article
, , and Sebastian Matera: The closer the better? Theoretical assessment of the impact of catalytic site separation for bifunctional core-shell catalyst particles.
2011
Journal Article
Matera, Sebastian, Hakim Meskine and Karsten Reuter: Adlayer inhomogeneity without lateral interactions: Rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo.
2010
Journal Article
Matera, Sebastian and Karsten Reuter: Transport limitations and bistability for in situ CO oxidation at RuO2(110): First-principles based multiscale modeling.
2009
Journal Article
Matera, Sebastian and Karsten Reuter: First-principles approach to heat and mass transfer effects in model catalyst studies.
Journal Article
Meskine, Hakim, Sebastian Matera, Matthias Scheffler, Karsten Reuter and Horia Metiu: Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations.
Conference Paper (1)
2023
Conference Paper
Matera, Sebastian, and : Reduced Basis Approach for Convection-Diffusion Equations with Non-linear Boundary Reaction Conditions.
(10th International Symposium on Finite Volumes for Complex Applications (FVCA10 2023), Strasbourg, France, Oct 2023).
Talk (5)
2023
Talk
Matera, Sebastian: Bridging Between Electronic Structure and Continuum Scales for Heterogeneous Catalysis.
(Workshop on Continuum Modeling in Energy Applications, Eindhoven, The Netherlands, Jan 2023).
Talk
Matera, Sebastian: Beyond Rate-Determining Steps: Global Sensitivity Analysis for First Principles Kinetic Models.
(Workshop, KMC as a Tool for Understanding Catalytic Function, Berlin, Germany, May 2023).
2022
Talk
Matera, Sebastian: From Electrons to the Reactor: Multiscale Modeling for Heterogeneous Catalysis.
(Seminar, Laboratoire de Chimie Physique Matière et Rayonnement, Sorbonne Université, Paris, France, Jul 2022).
Talk
Matera, Sebastian: Multilevel Adaptive Sparse Grids for Parametric Stochastic Models.
(SIAM Annual Meeting (AN22), Pittsburgh, PA, USA, Jul 2022).
2021
Talk
Matera, Sebastian: Multilevel Kinetic Monte Carlo Simulation for Charge Transport.
(SIAM-MS21: SIAM Conference on Mathematical Aspects of Materials Science, Online Event, May 2021).
Thesis - PhD (2)
2022
Thesis - PhD
Döpking, Sandra: Error aware analysis of multi-scale reactivity models for chemical surface reactions.
2010
Thesis - PhD
Matera, Sebastian: A First-Principles Based Multiscale Approach from the Electronic to the Continuum Regime: CO Oxidation at RuO2(110).