Reinhard J. Maurer
Reinhard J. Maurer
Associate Professor, Department of Chemistry, University of Warwick
Verified email at warwick.ac.uk - Homepage
Title
Cited by
Cited by
Year
Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory
RJ Maurer, VG Ruiz, J Camarillo-Cisneros, W Liu, N Ferri, K Reuter, ...
Progress in Surface Science 91 (2), 72-100, 2016
872016
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
KT Schütt, M Gastegger, A Tkatchenko, KR Müller, RJ Maurer
Nature communications 10 (1), 1-10, 2019
772019
Role of tensorial electronic friction in energy transfer at metal surfaces
M Askerka, RJ Maurer, VS Batista, JC Tully
Physical review letters 116 (21), 217601, 2016
722016
Photoswitching in nanoporous, crystalline solids: an experimental and theoretical study for azobenzene linkers incorporated in MOFs
Z Wang, L Heinke, J Jelic, M Cakici, M Dommaschk, RJ Maurer, ...
Physical Chemistry Chemical Physics 17 (22), 14582-14587, 2015
632015
Many-body dispersion effects in the binding of adsorbates on metal surfaces
RJ Maurer, VG Ruiz, A Tkatchenko
The Journal of chemical physics 143 (10), 102808, 2015
592015
Ab initio tensorial electronic friction for molecules on metal surfaces: Nonadiabatic vibrational relaxation
RJ Maurer, M Askerka, VS Batista, JC Tully
Physical Review B 94 (11), 115432, 2016
512016
Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switching
RJ Maurer, K Reuter
The Journal of chemical physics 135 (22), 224303, 2011
472011
Bistability Loss as a Key Feature in Azobenzene (Non‐) Switching on Metal Surfaces
RJ Maurer, K Reuter
Angewandte Chemie 124 (48), 12175-12177, 2012
462012
Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: on Ag(111)
RJ Maurer, B Jiang, H Guo, JC Tully
Physical Review Letters 118 (25), 256001, 2017
422017
Tracking metal electrodeposition dynamics from nucleation and growth of a single atom to a crystalline nanoparticle
HEM Hussein, RJ Maurer, H Amari, JJP Peters, L Meng, R Beanland, ...
ACS nano 12 (7), 7388-7396, 2018
372018
Spin manipulation by creation of single-molecule radical cations
S Karan, N Li, Y Zhang, Y He, IP Hong, H Song, JT Lü, Y Wang, L Peng, ...
Physical review letters 116 (2), 027201, 2016
372016
Quantification of finite-temperature effects on adsorption geometries of -conjugated molecules: Azobenzene/Ag(111)
G Mercurio, RJ Maurer, W Liu, S Hagen, F Leyssner, P Tegeder, J Meyer, ...
Physical Review B 88 (3), 035421, 2013
372013
Molecular simulation of surface reorganization and wetting in crystalline cellulose I and II
RJ Maurer, AF Sax, V Ribitsch
Cellulose 20 (1), 25-42, 2013
372013
Advances in density-functional calculations for materials modeling
RJ Maurer, C Freysoldt, AM Reilly, JG Brandenburg, OT Hofmann, ...
Annual Review of Materials Research 49, 1-30, 2019
312019
Switching of an azobenzene-tripod molecule on Ag (111)
K Scheil, TG Gopakumar, J Bahrenburg, F Temps, RJ Maurer, K Reuter, ...
The Journal of Physical Chemistry Letters 7 (11), 2080-2084, 2016
262016
Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver
K Diller, F Klappenberger, F Allegretti, AC Papageorgiou, S Fischer, ...
The Journal of chemical physics 141 (14), 144703, 2014
252014
Interpretation of X-ray absorption spectroscopy in the presence of surface hybridization
K Diller, RJ Maurer, M Müller, K Reuter
The Journal of chemical physics 146 (21), 214701, 2017
212017
Thermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag (111)
RJ Maurer, W Liu, I Poltavsky, T Stecher, H Oberhofer, K Reuter, ...
Physical Review Letters 116 (14), 146101, 2016
212016
Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT)
RJ Maurer, K Reuter
The Journal of chemical physics 139 (1), 014708, 2013
212013
Communication: Charge-population based dispersion interactions for molecules and materials
M Stöhr, GS Michelitsch, JC Tully, K Reuter, RJ Maurer
The Journal of Chemical Physics 144 (15), 151101, 2016
202016
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