Physically inspired deep learning of molecular excitations and photoemission spectra

por Westermayr, Julia, Maurer, Reinhard J.
Publicado 2021

Assessing Mixed Quantum-Classical Molecular Dynamics Methods for Nonadiabatic Dynamics of Molecules on Metal Surfaces

por Gardner, James, Habershon, Scott, Maurer, Reinhard J.
Publicado 2023

Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces

por Chaudhuri, Shayantan, Logsdail, Andrew J., Maurer, Reinhard J.
Publicado 2023

Hot-electron effects during reactive scattering of H(2) from Ag(111): the interplay between mode-specific electronic friction and the potential energy landscape

por Zhang, Yaolong, Maurer, Reinhard J., Guo, Hua, Jiang, Bin
Publicado 2018

Characterizing Molecule–Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra

por Hall, Samuel J., Klein, Benedikt P., Maurer, Reinhard J.
Publicado 2023

First-principles calculations of hybrid inorganic–organic interfaces: from state-of-the-art to best practice

por Hofmann, Oliver T., Zojer, Egbert, Hörmann, Lukas, Jeindl, Andreas, Maurer, Reinhard J.
Publicado 2021

Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic–inorganic interfaces

por Westermayr, Julia, Chaudhuri, Shayantan, Jeindl, Andreas, Hofmann, Oliver T., Maurer, Reinhard J.
Publicado 2022

Adhesion, forces and the stability of interfaces

por Guttmann, Robin, Hoja, Johannes, Lechner, Christoph, Maurer, Reinhard J, Sax, Alexander F
Publicado 2019

Determining the Effect of Hot Electron Dissipation on Molecular Scattering Experiments at Metal Surfaces

por Box, Connor L., Zhang, Yaolong, Yin, Rongrong, Jiang, Bin, Maurer, Reinhard J.
Publicado 2020

Design Principles for Metastable Standing Molecules

por Arefi, Hadi H., Corken, Daniel, Tautz, F. Stefan, Maurer, Reinhard J., Wagner, Christian
Publicado 2022

The stabilization potential of a standing molecule

por Knol, Marvin, Arefi, Hadi H., Corken, Daniel, Gardner, James, Tautz, F. Stefan, Maurer, Reinhard J., Wagner, Christian
Publicado 2021

Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene

por Klein, Benedikt P., Ruppenthal, Lukas, Hall, Samuel J., Sattler, Lars E., Weber, Sebastian M., Herritsch, Jan, Jaegermann, Andrea, Maurer, Reinhard J., Hilt, Gerhard, Gottfried, J. Michael
Publicado 2021

Thermodynamic Driving Forces for Substrate Atom Extraction by Adsorption of Strong Electron Acceptor Molecules

por Ryan, Paul, Blowey, Philip James, Sohail, Billal S., Rochford, Luke A., Duncan, David A., Lee, Tien-Lin, Starrs, Peter, Costantini, Giovanni, Maurer, Reinhard J., Woodruff, David Phillip
Publicado 2022

Alkali Doping Leads to Charge-Transfer Salt Formation in a Two-Dimensional Metal–Organic Framework

por Blowey, Phil J., Sohail, Billal, Rochford, Luke A., Lafosse, Timothy, Duncan, David A., Ryan, Paul T. P., Warr, Daniel Andrew, Lee, Tien-Lin, Costantini, Giovanni, Maurer, Reinhard J., Woodruff, David Phillip
Publicado 2020

Adiabatic versus non-adiabatic electron transfer at 2D electrode materials

por Liu, Dan-Qing, Kang, Minkyung, Perry, David, Chen, Chang-Hui, West, Geoff, Xia, Xue, Chaudhuri, Shayantan, Laker, Zachary P. L., Wilson, Neil R., Meloni, Gabriel N., Melander, Marko M., Maurer, Reinhard J., Unwin, Patrick R.
Publicado 2021

Direct Experimental Evidence for Substrate Adatom Incorporation into a Molecular Overlayer

por Mousley, Philip J., Rochford, Luke A., Ryan, Paul T. P., Blowey, Philip, Lawrence, James, Duncan, David A., Hussain, Hadeel, Sohail, Billal, Lee, Tien-Lin, Bell, Gavin R., Costantini, Giovanni, Maurer, Reinhard J., Nicklin, Christopher, Woodruff, D. Phil
Publicado 2022