Advances in Density-Functional Calculations for Materials Modeling
Maurer, Reinhard J, Freysoldt, Christoph, Reilly, Anthony M, Brandenburg, Jan Gerit, Hofmann, Oliver T, Björkman, Torbjörn, Lebègue, Sébastien, Tkatchenko, Alexandre
Published in Annual review of materials research (01.07.2019)
Published in Annual review of materials research (01.07.2019)
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Journal Article
Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces
Askerka, Mikhail, Maurer, Reinhard J, Batista, Victor S, Tully, John C
Published in Physical review letters (25.05.2016)
Published in Physical review letters (25.05.2016)
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Journal Article
Many-body dispersion effects in the binding of adsorbates on metal surfaces
Maurer, Reinhard J, Ruiz, Victor G, Tkatchenko, Alexandre
Published in The Journal of chemical physics (14.09.2015)
Published in The Journal of chemical physics (14.09.2015)
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Journal Article
Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces
Chaudhuri, Shayantan, Logsdail, Andrew J., Maurer, Reinhard J.
Published in Journal of physical chemistry. C (17.08.2023)
Published in Journal of physical chemistry. C (17.08.2023)
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Journal Article
Tracking Metal Electrodeposition Dynamics from Nucleation and Growth of a Single Atom to a Crystalline Nanoparticle
Hussein, Haytham E. M, Maurer, Reinhard J, Amari, Houari, Peters, Jonathan J. P, Meng, Lingcong, Beanland, Richard, Newton, Mark E, Macpherson, Julie V
Published in ACS nano (24.07.2018)
Published in ACS nano (24.07.2018)
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Journal Article
Hot-electron effects during reactive scattering of H 2 from Ag(111): the interplay between mode-specific electronic friction and the potential energy landscape
Zhang, Yaolong, Maurer, Reinhard J, Guo, Hua, Jiang, Bin
Published in Chemical science (Cambridge) (28.01.2019)
Published in Chemical science (Cambridge) (28.01.2019)
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Journal Article
High-throughput property-driven generative design of functional organic molecules
Westermayr, Julia, Gilkes, Joe, Barrett, Rhyan, Maurer, Reinhard J
Published in Nature Computational Science (01.02.2023)
Published in Nature Computational Science (01.02.2023)
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Journal Article
Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory
Maurer, Reinhard J., Ruiz, Victor G., Camarillo-Cisneros, Javier, Liu, Wei, Ferri, Nicola, Reuter, Karsten, Tkatchenko, Alexandre
Published in Progress in surface science (01.05.2016)
Published in Progress in surface science (01.05.2016)
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Journal Article
Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces
Gardner, James, Corken, Daniel, Janke, Svenja M., Habershon, Scott, Maurer, Reinhard J.
Published in The Journal of chemical physics (14.02.2023)
Published in The Journal of chemical physics (14.02.2023)
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Journal Article