Reinhard J Maurer (R J Maurer)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 49

Top Venues

The journal of physical chemistry. C, Nanomaterials and interfaces

Nature computational science

The Journal of chemical physics

Nature communications

University of Warwick

Technische Universität München (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Warwick Aug 01 2020

United Kingdom

Associate Professor :: Department of Chemistry

University of Warwick Sep 01 2017 - Jul 31 2020

United Kingdom

Assistant Professor :: Department of Chemistry

Yale University Nov 01 2014 - Aug 31 2017

United States

Postdoctoral Associate :: Department of Chemistry

Technische Universität München - Oct 31 2014

Germany

Postdoctoral Researcher :: Department Chemie

Technische Universität München Oct 01 2010 - Feb 28 2014

Germany

Graduate Researcher :: Department Chemie

Karl-Franzens-Universitat Graz Jun 01 2008 - Oct 01 2010

Austria

Undergraduate Researcher :: Institut fuer Chemie

Education History

Technische Universität München Oct 01 2010 - Feb 28 2014

Germany

PHD :: Department Chemie

Publications

Joe Gilkes, Mark T Storr, Reinhard J Maurer, Scott Habershon
Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jl. Journal of chemical theory and computation (2024)
Rustem Bolat, Jose M Guevara, Philipp Leinen, Marvin Knol, Hadi H Arefi, Michael Maiworm, Rolf Findeisen, Ruslan Temirov, Oliver T Hofmann, Reinhard J Maurer, F Stefan Tautz, Christian Wagner
Electrostatic potentials of atomic nanostructures at metal surfaces quantified by scanning quantum dot microscopy. Nature communications 15 (1) (2024)
Benedikt P Klein, Matthew A Stoodley, Dylan B Morgan, Luke A Rochford, Leon B S Williams, Paul T P Ryan, Lars Sattler, Sebastian M Weber, Gerhard Hilt, Thomas J Liddy, Tien-Lin Lee, Reinhard J Maurer, David A Duncan
Probing the role of surface termination in the adsorption of azupyrene on copper. Nanoscale (2024)
Rustem Bolat, Jose M Guevara, Philipp Leinen, Marvin Knol, Hadi H Arefi, Michael Maiworm, Rolf Findeisen, Ruslan Temirov, Oliver T Hofmann, Reinhard J Maurer, F Stefan Tautz, Christian Wagner
Electrostatic potentials of atomic nanostructures at metal surfaces quantified by scanning quantum dot microscopy. Nature communications 15 (1) (2024)
Joe Gilkes, Mark T Storr, Reinhard J Maurer, Scott Habershon
Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jl. Journal of chemical theory and computation 20 (12) (2024)
Benedikt P Klein, Matthew A Stoodley, Dylan B Morgan, Luke A Rochford, Leon B S Williams, Paul T P Ryan, Lars Sattler, Sebastian M Weber, Gerhard Hilt, Thomas J Liddy, Tien-Lin Lee, Reinhard J Maurer, David A Duncan
Probing the role of surface termination in the adsorption of azupyrene on copper. Nanoscale 16 (11) (2024)
Joe Gilkes, Mark T Storr, Reinhard J Maurer, Scott Habershon
Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jl. Journal of chemical theory and computation 20 (12) (2024)
Rustem Bolat, Jose M Guevara, Philipp Leinen, Marvin Knol, Hadi H Arefi, Michael Maiworm, Rolf Findeisen, Ruslan Temirov, Oliver T Hofmann, Reinhard J Maurer, F Stefan Tautz, Christian Wagner
Electrostatic potentials of atomic nanostructures at metal surfaces quantified by scanning quantum dot microscopy. Nature communications 15 (1) (2024)
Joe Gilkes, Mark T Storr, Reinhard J Maurer, Scott Habershon
Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jl. Journal of chemical theory and computation 20 (12) (2024)
B Sohail, P J Blowey, L A Rochford, P T P Ryan, David A Duncan, T-L Lee, P Starrs, Giovanni Costantini, David Phillip Woodruff, Reinhard J Maurer
Donor-Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali-Organic Networks on Ag(100). The journal of physical chemistry. C, Nanomaterials and interfaces 127 (5) (2023)
Samuel J Hall, Benedikt P Klein, Reinhard J Maurer
Characterizing Molecule-Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (4) (2023)
Wojciech G Stark, Julia Westermayr, Oscar A Douglas-Gallardo, James Gardner, Scott Habershon, Reinhard J Maurer
Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (50) (2023)
Samuel J Hall, Benedikt P Klein, Reinhard J Maurer
Characterizing Molecule-Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (4) (2023)
James Gardner, Scott Habershon, Reinhard J Maurer
Assessing Mixed Quantum-Classical Molecular Dynamics Methods for Nonadiabatic Dynamics of Molecules on Metal Surfaces. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (31) (2023)
Julia Westermayr, Joe Gilkes, Rhyan Barrett, Reinhard J Maurer
High-throughput property-driven generative design of functional organic molecules. Nature computational science 3 (2) (2023)
James Gardner, Daniel Corken, Svenja M Janke, Scott Habershon, Reinhard J Maurer
Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces. The Journal of chemical physics 158 (6) (2023)
Julia Westermayr, Joe Gilkes, Rhyan Barrett, Reinhard J Maurer
High-throughput property-driven generative design of functional organic molecules. Nature computational science 3 (2) (2023)
B Sohail, P J Blowey, L A Rochford, P T P Ryan, David A Duncan, T-L Lee, P Starrs, Giovanni Costantini, David Phillip Woodruff, Reinhard J Maurer
Donor-Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali-Organic Networks on Ag(100). The journal of physical chemistry. C, Nanomaterials and interfaces 127 (5) (2023)
Julia Westermayr, Joe Gilkes, Rhyan Barrett, Reinhard J Maurer
High-throughput property-driven generative design of functional organic molecules. Nature computational science 3 (2) (2023)
Samuel J Hall, Benedikt P Klein, Reinhard J Maurer
Characterizing Molecule-Metal Surface Chemistry with Ab Initio Simulation of X-ray Absorption and Photoemission Spectra. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (4) (2023)
Wojciech G Stark, Julia Westermayr, Oscar A Douglas-Gallardo, James Gardner, Scott Habershon, Reinhard J Maurer
Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (50) (2023)
Shayantan Chaudhuri, Andrew James Logsdail, Reinhard J Maurer
Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (32) (2023)
Julia Westermayr, Joe Gilkes, Rhyan Barrett, Reinhard J Maurer
High-throughput property-driven generative design of functional organic molecules. Nature computational science 3 (2) (2023)
Julia Westermayr, Joe Gilkes, Rhyan Barrett, Reinhard J Maurer
High-throughput property-driven generative design of functional organic molecules. Nature computational science 3 (2) (2023)
James Gardner, Daniel Corken, Svenja M Janke, Scott Habershon, Reinhard J Maurer
Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces. The Journal of chemical physics 158 (6) (2023)
B Sohail, P J Blowey, L A Rochford, P T P Ryan, David A Duncan, T-L Lee, P Starrs, Giovanni Costantini, David Phillip Woodruff, Reinhard J Maurer
Donor-Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali-Organic Networks on Ag(100). The journal of physical chemistry. C, Nanomaterials and interfaces 127 (5) (2023)
Hadi H Arefi, Daniel Corken, F Stefan Tautz, Reinhard J Maurer, Christian Wagner
Design Principles for Metastable Standing Molecules. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (15) (2022)
Paul Ryan, Philip James Blowey, Billal S Sohail, Luke A Rochford, David A Duncan, Tien-Lin Lee, Peter Starrs, Giovanni Costantini, Reinhard J Maurer, David Phillip Woodruff
Thermodynamic Driving Forces for Substrate Atom Extraction by Adsorption of Strong Electron Acceptor Molecules. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (13) (2022)
Julia Westermayr, Shayantan Chaudhuri, Andreas Jeindl, Oliver T Hofmann, Reinhard J Maurer
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces. Digital discovery 1 (4) (2022)
Yaolong Zhang, Connor L Box, Tim Schäfer, Alexander Kandratsenka, Alec M Wodtke, Reinhard J Maurer, Bin Jiang
Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter. Physical chemistry chemical physics : PCCP 24 (33) (2022)
Philip J Mousley, Luke A Rochford, Paul T P Ryan, Philip Blowey, James Lawrence, David A Duncan, Hadeel Hussain, Billal Sohail, Tien-Lin Lee, Gavin R Bell, Giovanni Costantini, Reinhard J Maurer, Christopher Nicklin, David Phillip Woodruff
Direct Experimental Evidence for Substrate Adatom Incorporation into a Molecular Overlayer. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (16) (2022)
Benedikt P Klein, Alexander Ihle, Stefan R Kachel, Lukas Ruppenthal, Samuel J Hall, Lars Sattler, Sebastian M Weber, Jan Herritsch, Andrea Jaegermann, Daniel Ebeling, Reinhard J Maurer, Gerhard Hilt, Ralf Tonner, André Schirmeisen, J Michael Gottfried
Topological Stone-Wales Defects Enhance Bonding and Electronic Coupling at the Graphene/Metal Interface. ACS nano 16 (8) (2022)
Dan-Qing Liu, Minkyung Kang, David Perry, Chang-Hui Chen, Geoff West, Xue Xia, Shayantan Chaudhuri, Zachary P L Laker, Neil R Wilson, Gabriel N Meloni, Marko M Melander, Reinhard J Maurer, Patrick R Unwin
Adiabatic versus non-adiabatic electron transfer at 2D electrode materials. Nature communications 12 (1) (2021)
Oliver T Hofmann, Egbert Zojer, Lukas Hörmann, Andreas Jeindl, Reinhard J Maurer
First-principles calculations of hybrid inorganic-organic interfaces: from state-of-the-art to best practice. Physical chemistry chemical physics : PCCP 23 (14) (2021)
Julia Westermayr, Reinhard J Maurer
Physically inspired deep learning of molecular excitations and photoemission spectra. Chemical science 12 (32) (2021)
Marvin Knol, Hadi H Arefi, Daniel Corken, James Gardner, F Stefan Tautz, Reinhard J Maurer, Christian Wagner
The stabilization potential of a standing molecule. Science advances 7 (46) (2021)
Julia Westermayr, Michael Gastegger, Kristof T Schütt, Reinhard J Maurer
Perspective on integrating machine learning into computational chemistry and materials science. The Journal of chemical physics 154 (23) (2021)
J Matthias Kahk, Georg S Michelitsch, Reinhard J Maurer, Karsten Reuter, Johannes C Lischner
Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations. The journal of physical chemistry letters 12 (38) (2021)
Phil J Blowey, Billal Sohail, Luke A Rochford, Timothy Lafosse, David A Duncan, Paul T P Ryan, Daniel Andrew Warr, Tien-Lin Lee, Giovanni Costantini, Reinhard J Maurer, David Phillip Woodruff
Alkali Doping Leads to Charge-Transfer Salt Formation in a Two-Dimensional Metal-Organic Framework. ACS nano 14 (6) (2020)
Michael Gastegger, A McSloy, M Luya, Kristof T Schütt, Reinhard J Maurer
A deep neural network for molecular wave functions in quasi-atomic minimal basis representation. The Journal of chemical physics 153 (4) (2020)
Connor L Box, Yaolong Zhang, Rongrong Yin, Bin Jiang, Reinhard J Maurer
Determining the Effect of Hot Electron Dissipation on Molecular Scattering Experiments at Metal Surfaces. JACS Au 1 (2) (2020)
Robin Guttmann, Johannes Hoja, Christoph Lechner, Reinhard J Maurer, Alexander F Sax
Adhesion, forces and the stability of interfaces. Beilstein journal of organic chemistry 15 (2019)
Javier Aizpurua, Jeremy Baumberg, Valérie Caps, Emiliano Cortes, Bart de Nijs, Yuri Antonio Diaz Fernandez, Laura Fabris, Simon Freakley, Sylwester Gawinkowski, Daniel Glass, Junyang Huang, Bartlomiej Jankiewicz, Jacob Khurgin, Priyank Vijaya Kumar, Reinhard J Maurer, Peter McBreen, Niclas Sven Mueller, Jeong Y Park, Jhon Quiroz, Sebastian Rejman, Rosa Mayela Romero Gómez, Jorge Salmon-Gamboa, Sebastian Schlücker, Zachary D Schultz, Amaresh Shukla, Yonatan Sivan, Madasamy Thangamuthu, Laura Torrente-Murciano, Xiaofei Xiao, Hongxing Xu, Chao Zhan
Applications in catalysis, photochemistry, and photodetection: general discussion. Faraday discussions 214 (2019)
Javier Aizpurua, Michael N R Ashfold, Francesca Baletto, Jeremy Baumberg, Phillip Christopher, Emiliano Cortés, Bart de Nijs, Yuri Antonio Diaz Fernandez, Julian Gargiulo, Sylwester Gawinkowski, Naomi Halas, Ruben Hamans, Bartlomiej Jankiewicz, Jacob Khurgin, Priyank Vijaya Kumar, Jie Liu, Stefan Maier, Reinhard J Maurer, A Mount, Niclas Sven Mueller, Rupert Oulton, Matteo Parente, Jeong Y Park, John Polanyi, Jhon Quiroz, Sebastian Rejman, Sebastian Schlücker, Zachary D Schultz, Yonatan Sivan, Giulia Tagliabue, Madasamy Thangamuthu, Laura Torrente-Murciano, Xiaofei Xiao, Anatoly V Zayats, Chao Zhan
Dynamics of hot electron generation in metallic nanostructures: general discussion. Faraday discussions 214 (2019)
Javier Aizpurua, Jeremy Baumberg, Alexandra Boltasseva, Phillip Christopher, Emiliano Cortes, Stephen B Cronin, Bhavesh Kumar Dadhich, Bart de Nijs, Preeti Deshpande, Yuri Antonio Diaz Fernandez, Laura Fabris, Sylwester Gawinkowski, Alexander Govorov, Naomi Halas, Junyang Huang, Bartlomiej Jankiewicz, Rifat Kamarudheen, Jacob Khurgin, Tae Kyung Lee, Julien Mahin, Andrea Marini, Reinhard J Maurer, Niclas Sven Mueller, Jeong Y Park, Mahfujur Rahaman, Sebastian Schlücker, Zachary D Schultz, Yonatan Sivan, Giulia Tagliabue, Madasamy Thangamuthu, Hongxing Xu, Anatoly V Zayats
New materials for hot electron generation: general discussion. Faraday discussions 214 (2019)
Majid Mortazavi, Jan Gerit Brandenburg, Reinhard J Maurer, Alexandre Tkatchenko
Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight Binding. The journal of physical chemistry letters 9 (2) (2018)
Katharina Diller, Reinhard J Maurer, Moritz Müller, Karsten Reuter
Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization. The Journal of chemical physics 146 (21) (2018)
Yaolong Zhang, Reinhard J Maurer, Hua Guo, Bin Jiang
Hot-electron effects during reactive scattering of H2 from Ag(111): the interplay between mode-specific electronic friction and the potential energy landscape. Chemical science 10 (4) (2018)
Haytham E M Hussein, Reinhard J Maurer, Houari Amari, Jonathan J P Peters, Lingcong Meng, Richard Beanland, Mark E Newton, Julie V Macpherson
Tracking Metal Electrodeposition Dynamics from Nucleation and Growth of a Single Atom to a Crystalline Nanoparticle. ACS nano 12 (7) (2018)

Reinhard J Maurer.css-eqlu8i{font-size:small;padding-left:4px;} (R J Maurer)

Publication Activity (10 Years)

Top Topics

Top Venues

Reinhard J Maurer (R J Maurer)