James Kermode
TitoloCitata daAnno
The atomic simulation environment—a Python library for working with atoms
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Journal of Physics: Condensed Matter 29 (27), 273002, 2017
4952017
Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces
Z Li, JR Kermode, A De Vita
Physical review letters 114 (9), 096405, 2015
2402015
Low-speed fracture instabilities in a brittle crystal
JR Kermode, T Albaret, D Sherman, N Bernstein, P Gumbsch, MC Payne, ...
Nature 455 (7217), 1224, 2008
1712008
Hybrid atomistic simulation methods for materials systems
N Bernstein, JR Kermode, G Csanyi
Reports on Progress in Physics 72 (2), 026501, 2009
1592009
Machine learning unifies the modeling of materials and molecules
AP Bartók, S De, C Poelking, N Bernstein, JR Kermode, G Csányi, ...
Science advances 3 (12), e1701816, 2017
1512017
Atomistic aspects of fracture
E Bitzek, JR Kermode, P Gumbsch
International Journal of Fracture 191 (1-2), 13-30, 2015
772015
Machine learning a general-purpose interatomic potential for silicon
AP Bartók, J Kermode, N Bernstein, G Csányi
Physical Review X 8 (4), 041048, 2018
512018
Understanding and mitigating hydrogen embrittlement of steels: a review of experimental, modelling and design progress from atomistic to continuum
O Barrera, D Bombac, Y Chen, TD Daff, E Galindo-Nava, P Gong, D Haley, ...
Journal of materials science 53 (9), 6251-6290, 2018
392018
Macroscopic scattering of cracks initiated at single impurity atoms
JR Kermode, L Ben-Bashat, F Atrash, JJ Cilliers, D Sherman, A De Vita
Nature communications 4, 2441, 2013
362013
Dissociative Chemisorption of Inducing Stress Corrosion Cracking in Silicon Crystals
A Gleizer, G Peralta, JR Kermode, A De Vita, D Sherman
Physical review letters 112 (11), 115501, 2014
322014
A framework for machine‐learning‐augmented multiscale atomistic simulations on parallel supercomputers
M Caccin, Z Li, JR Kermode, A De Vita
International Journal of Quantum Chemistry 115 (16), 1129-1139, 2015
312015
A first principles based polarizable O (N) interatomic force field for bulk silica
JR Kermode, S Cereda, P Tangney, A De Vita
The Journal of chemical physics 133 (9), 094102, 2010
282010
Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory
M Aldegunde, JR Kermode, N Zabaras
Journal of Computational Physics 311, 173-195, 2016
242016
A universal preconditioner for simulating condensed phase materials
D Packwood, J Kermode, L Mones, N Bernstein, J Woolley, N Gould, ...
The Journal of chemical physics 144 (16), 164109, 2016
162016
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
162015
Low speed crack propagation via kink formation and advance on the silicon (110) cleavage plane
JR Kermode, A Gleizer, G Kovel, L Pastewka, G Csányi, D Sherman, ...
Physical review letters 115 (13), 135501, 2015
152015
Validity of linear elasticity in the crack-tip region of ideal brittle solids
G Singh, JR Kermode, A De Vita, RW Zimmerman
International Journal of Fracture 189 (1), 103-110, 2014
122014
Modelling defects in Ni–Al with EAM and DFT calculations
F Bianchini, JR Kermode, A De Vita
Modelling and Simulation in Materials Science and Engineering 24 (4), 045012, 2016
112016
In situ stable crack growth at the micron scale
G Sernicola, T Giovannini, P Patel, JR Kermode, DS Balint, TB Britton, ...
Nature communications 8 (1), 108, 2017
102017
Expressive programming for computational physics in Fortran 95+
G Csányi, S Winfield, J Kermode, A de Vita, A Comisso, N Bernstein, ...
IoP Comput. Phys. Newsletter, Spring, 2007
92007
Il sistema al momento non puň eseguire l'operazione. Riprova piů tardi.
Articoli 1–20