| Ab initio derived force‐field parameters for molecular dynamics simulations of deprotonated amorphous‐SiO2/water interfaces A Butenuth, G Moras, J Schneider, M Koleini, S Köppen, R Meissner, ... physica status solidi (b) 249 (2), 292-305, 2012 | 62 | 2012 |
| Multiscale hybrid simulation methods for material systems G Csányi, T Albaret, G Moras, MC Payne, A De Vita Journal of Physics: Condensed Matter 17 (27), R691, 2005 | 54 | 2005 |
| Friction regimes of water-lubricated diamond (111): Role of interfacial ether groups and tribo-induced aromatic surface reconstructions T Kuwahara, G Moras, M Moseler Physical Review Letters 119 (9), 096101, 2017 | 43 | 2017 |
| Activation and mechanochemical breaking of C−C bonds initiate wear of diamond (110) surfaces in contact with silica A Peguiron, G Moras, M Walter, H Uetsuka, L Pastewka, M Moseler Carbon 98, 474-483, 2016 | 42 | 2016 |
| Progressive Shortening of sp-Hybridized Carbon Chains through Oxygen-Induced Cleavage G Moras, L Pastewka, M Walter, J Schnagl, P Gumbsch, M Moseler The Journal of Physical Chemistry C 115 (50), 24653-24661, 2011 | 40 | 2011 |
| Formation and oxidation of linear carbon chains and their role in the wear of carbon materials G Moras, L Pastewka, P Gumbsch, M Moseler Tribology Letters 44 (3), 355-365, 2011 | 38 | 2011 |
| Atomically smooth stress-corrosion cleavage of a hydrogen-implanted crystal G Moras, LC Ciacchi, C Elsässer, P Gumbsch, A De Vita Physical Review Letters 105, 075502, 2010 | 38 | 2010 |
| Mechano-chemical decomposition of organic friction modifiers with multiple reactive centres induces superlubricity of ta-C T Kuwahara, PA Romero, S Makowski, V Weihnacht, G Moras, M Moseler Nature Communications 10 (1), 151, 2019 | 37 | 2019 |
| Fluorine-terminated diamond surfaces as dense dipole lattices: the electrostatic origin of polar hydrophobicity L Mayrhofer, G Moras, N Mulakaluri, S Rajagopalan, PA Stevens, ... Journal of the American Chemical Society 138, 4018–4028, 2016 | 28 | 2016 |
| Accuracy of buffered-force QM/MM simulations of silica A Peguiron, L Colombi Ciacchi, A De Vita, JR Kermode, G Moras The Journal of Chemical Physics 142 (6), 064116, 2015 | 21 | 2015 |
| Shear melting of silicon and diamond and the disappearance of the polyamorphic transition under shear G Moras, A Klemenz, T Reichenbach, A Gola, H Uetsuka, M Moseler, ... Physical Review Materials 2 (8), 083601, 2018 | 12 | 2018 |
| Hybrid Quantum/Classical Modeling of Material Systems: The “Learn on the Fly” Molecular Dynamics Scheme G Moras, R Choudhury, JR Kermode, G Csányi, MC Payne, A De Vita Trends in Computational Nanomechanics, 1-23, 2010 | 11* | 2010 |
| Multiscale Modeling of Defects in Semiconductors: A Novel Molecular-Dynamics Scheme G Csányi, G Moras, J Kermode, M Payne, A Mainwood, A De Vita Theory of Defects in Semiconductors, 193-212, 2007 | 9 | 2007 |
| Role of oxygen functional groups in the friction of water-lubricated low-index diamond surfaces T Kuwahara, G Moras, M Moseler Physical Review Materials 2 (7), 073606, 2018 | 8 | 2018 |
| A novel molecular dynamics approach to large semiconductor systems G Moras, G Csanyi, MC Payne, A De Vita Physica B: Condensed Matter 376, 936-939, 2006 | 8 | 2006 |
| Trends in Computational Nanomechanics: Transcending Length and Time Scales G Moras, R Choudhury, JR Kermode, G Csányi, MC Payne, A De Vita Springer, 2010 | 5 | 2010 |
| Modelling (100) hydrogen-induced platelets in silicon with a multi-scale molecular dynamics approach G Moras, L Colombi Ciacchi, G Csanyi, A De Vita Physica B: Condensed Matter 401, 16-20, 2007 | 5 | 2007 |
| Steric Effects Control Dry Friction of H-and F-Terminated Carbon Surfaces T Reichenbach, L Mayrhofer, T Kuwahara, M Moseler, G Moras ACS Applied Materials & Interfaces 12 (7), 8805-8816, 2020 | 4 | 2020 |
| Modelling the Growth of Hydrogen-induced Platelets in Silicon with the" learn on the Fly" Multiscale Molecular Dynamics Technique G Moras King's College London, 2008 | 1 | 2008 |
| Solid-phase silicon homoepitaxy via shear-induced amorphization and recrystallization T Reichenbach, G Moras, L Pastewka, M Moseler arXiv preprint arXiv:2102.10969, 2021 | | 2021 |
Moseler MichaelProfessor for Physics, University of Freiburg, Group Leader at Fraunhofer IWMVerified email at iwm.fhg.de
