Gianpietro Moras
Citata da
Citata da
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
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
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
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
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, 2011
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
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
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
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
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
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
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
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
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
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
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
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
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
Quantum Chemical Modelling of Water Splitting: From Photoelectrochemistry to Superlubricity
L Mayrhofer, G Moras, T Kuwahara, A Held, M Moseler
NIC Symposium 2020 50, 75, 2020
Amorphization of silicon crystals under shear stress
G Moras, A Klemenz, H Uetsuka, M Moseler, L Pastewka
APS Meeting Abstracts 1, 26013, 2014
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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