Publications of Karsten Reuter

Journal Article

Behler, Jörg, Sönke Lorenz and Karsten Reuter: Representing molecule-surface interactions with symmetry-adapted neural networks.

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Journal Article

Cano-Cortés, Laura, Andreas Dolfen, Jaime Merino, Jörg Behler, Bernard Delley, Karsten Reuter and Erik Koch: Spectral broadening due to the long-range Coulomb interactions in the molecular metal TTF-TCNQ.

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Journal Article

Hu, Qing-Miao, Karsten Reuter and Matthias Scheffler: Erratum: Towards an exact treatment of exchange and correlation in materials: Application to the ``CO adsorption puzzle'' and other systems [Phys. Rev. Lett. 98, 176103 (2007)].

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Journal Article

Hu, Qing-Miao, Karsten Reuter and Matthias Scheffler: Towards an exact treatment of exchange and correlation in materials: Application to the "CO adsorption puzzle" and other systems.

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Journal Article

Reuter, Karsten and Matthias Scheffler: Erratum: Composition, structure, and stability of RuO₂(110) as a function of oxygen pressure [Phys. Rev. B 65, 035406 (2001)].

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Journal Article

Rogal, Jutta, Karsten Reuter and Matthias Scheffler: CO oxidation at Pd(100): A first-principles constrained thermodynamics study.

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Rogal, Jutta, Karsten Reuter and Matthias Scheffler: First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100).

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Journal Article

Temel, Burcin, Hakim Meskine, Karsten Reuter, Matthias Scheffler and Horia Metiu: Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?

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Journal Article

Zhang, Yongsheng, Volker Blum and Karsten Reuter: Accuracy of first-principles lateral interactions: Oxygen at Pd(100).

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2006

Journal Article

Kiejna, Adam, Georg Kresse, Jutta Rogal, Abir De Sarkar, Karsten Reuter and Matthias Scheffler: Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces.

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Journal Article

Reuter, Karsten: Insight into a pressure and materials gap: CO oxidation at "Ruthenium" catalysts.

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Journal Article

Reuter, Karsten and Matthias Scheffler: First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO₂(110).

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Journal Article

Schnadt, J., Angelos Michaelides, J. Knudsen, R.T. Vang, Karsten Reuter, E. Lægsgaard, Matthias Scheffler and F. Besenbacher: Revisiting the structure of the p(4 x 4) surface oxide on Ag(111).

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Journal Article

Zhang, Yongsheng, Jutta Rogal and Karsten Reuter: Density-functional theory investigation of oxygen adsorption at Pd(11N) vicinal surfaces (N=3,5,7): Influence of neighboring steps.

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2005

Journal Article

Behler, Jörg, Bernard Delley, Sönke Lorenz, Karsten Reuter and Matthias Scheffler: Dissociation of O₂ at Al(111): The role of spin selection rules.

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Journal Article

Michaelides, Angelos, Karsten Reuter and Matthias Scheffler: When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?

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Journal Article

Todorova, Mira, Karsten Reuter and Matthias Scheffler: Density-functional theory study of the initial oxygen incorporation in Pd(111).

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2004

Journal Article

Lundgren, E., J. Gustafson, A. Mikkelsen, J.N. Andersen, A. Stierle, H. Dosch, Mira Todorova, Jutta Rogal, Karsten Reuter and Matthias Scheffler: Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures.

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