Matera S - Search Results

1

In situ x-ray photoelectron spectroscopy of model catalysts: at the edge of the gap.

Blomberg S, Hoffmann MJ, Gustafson J, Martin NM, Fernandes VR, Borg A, Liu Z, Chang R, Matera S, Reuter K, Lundgren E. Blomberg S, et al. Among authors: matera s. Phys Rev Lett. 2013 Mar 15;110(11):117601. doi: 10.1103/PhysRevLett.110.117601. Epub 2013 Mar 12. Phys Rev Lett. 2013. PMID: 25166577

2

Adlayer inhomogeneity without lateral interactions: rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo.

Matera S, Meskine H, Reuter K. Matera S, et al. J Chem Phys. 2011 Feb 14;134(6):064713. doi: 10.1063/1.3553258. J Chem Phys. 2011. PMID: 21322727

3

Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

Ringe S, Oberhofer H, Hille C, Matera S, Reuter K. Ringe S, et al. Among authors: matera s. J Chem Theory Comput. 2016 Aug 9;12(8):4052-66. doi: 10.1021/acs.jctc.6b00435. Epub 2016 Jul 8. J Chem Theory Comput. 2016. PMID: 27323006

4

A practical approach to the sensitivity analysis for kinetic Monte Carlo simulation of heterogeneous catalysis.

Hoffmann MJ, Engelmann F, Matera S. Hoffmann MJ, et al. Among authors: matera s. J Chem Phys. 2017 Jan 28;146(4):044118. doi: 10.1063/1.4974261. J Chem Phys. 2017. PMID: 28147552

5

Efficient Implicit Solvation Method for Full Potential DFT.

Sinstein M, Scheurer C, Matera S, Blum V, Reuter K, Oberhofer H. Sinstein M, et al. Among authors: matera s. J Chem Theory Comput. 2017 Nov 14;13(11):5582-5603. doi: 10.1021/acs.jctc.7b00297. Epub 2017 Oct 13. J Chem Theory Comput. 2017. PMID: 28910530

6

Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensions.

Lorenzi JM, Stecher T, Reuter K, Matera S. Lorenzi JM, et al. Among authors: matera s. J Chem Phys. 2017 Oct 28;147(16):164106. doi: 10.1063/1.4997286. J Chem Phys. 2017. PMID: 29096493

7

Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach.

Döpking S, Plaisance CP, Strobusch D, Reuter K, Scheurer C, Matera S. Döpking S, et al. Among authors: matera s. J Chem Phys. 2018 Jan 21;148(3):034102. doi: 10.1063/1.5004770. J Chem Phys. 2018. PMID: 29352783

8

A fuzzy classification framework to identify equivalent atoms in complex materials and molecules.

Lai KC, Matera S, Scheurer C, Reuter K. Lai KC, et al. Among authors: matera s. J Chem Phys. 2023 Jul 14;159(2):024129. doi: 10.1063/5.0160369. J Chem Phys. 2023. PMID: 37439470

9

Solving the time-independent Schrödinger equation for chains of coupled excitons and phonons using tensor trains.

Gelß P, Klein R, Matera S, Schmidt B. Gelß P, et al. Among authors: matera s. J Chem Phys. 2022 Jan 14;156(2):024109. doi: 10.1063/5.0074948. J Chem Phys. 2022. PMID: 35032989

10

Kinetic Trapping of Charge-Transfer Molecules at Metal Interfaces.

Werkovits A, Hollweger SB, Niederreiter M, Risse T, Cartus JJ, Sterrer M, Matera S, Hofmann OT. Werkovits A, et al. Among authors: matera s. J Phys Chem C Nanomater Interfaces. 2024 Feb 7;128(7):3082-3089. doi: 10.1021/acs.jpcc.3c08262. eCollection 2024 Feb 22. J Phys Chem C Nanomater Interfaces. 2024. PMID: 38414835 Free PMC article.

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