متابعة
James Kermode
James Kermode
Professor of Materials Modelling, School of Engineering, University of Warwick
بريد إلكتروني تم التحقق منه على warwick.ac.uk - الصفحة الرئيسية
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
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
40182017
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
7392017
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
7202015
Machine learning a general-purpose interatomic potential for silicon‏
AP Bartók, J Kermode, N Bernstein, G Csányi‏
Physical Review X 8 (4), 041048, 2018‏
6272018
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
4282018
Low-speed fracture instabilities in a brittle crystal‏
JR Kermode, T Albaret, D Sherman, N Bernstein, P Gumbsch, MC Payne, ...‏
Nature 455 (7217), 1224-1227, 2008‏
2472008
Hybrid atomistic simulation methods for materials systems‏
N Bernstein, JR Kermode, G Csanyi‏
Reports on Progress in Physics 72 (2), 026501, 2009‏
1972009
A foundation model for atomistic materials chemistry‏
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ...‏
arXiv preprint arXiv:2401.00096, 2023‏
1922023
Atomistic aspects of fracture‏
E Bitzek, JR Kermode, P Gumbsch‏
International Journal of Fracture 191, 13-30, 2015‏
1882015
The atomic simulation environment—a Python library for working with atoms‏
J Friis, MN Groves, B Hammer, C Hargus, ED Hermes, PC Jennings, ...‏
J. Phys.: Condens. Matter 29 (27), 273002, 2017‏
1322017
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), 2016‏
802016
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
762017
Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W‏
AM Goryaeva, J Dérès, C Lapointe, P Grigorev, TD Swinburne, ...‏
Physical Review Materials 5 (10), 103803, 2021‏
592021
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 (1), 2441, 2013‏
582013
Expressive programming for computational physics in Fortran 950+‏
G Csányi, S Winfield, J Kermode, MC Payne, A Comisso, A De Vita, ...‏
Newsletter of the Computational Physics Group, 1-24, 2007‏
532007
f90wrap: an automated tool for constructing deep Python interfaces to modern Fortran codes‏
JR Kermode‏
Journal of Physics: Condensed Matter 32 (30), 305901, 2020‏
512020
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
472015
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
422014
Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models‏
L Zhang, B Onat, G Dusson, A McSloy, G Anand, RJ Maurer, C Ortner, ...‏
Npj Computational Materials 8 (1), 158, 2022‏
412022
Sensitivity and dimensionality of atomic environment representations used for machine learning interatomic potentials‏
B Onat, C Ortner, JR Kermode‏
The Journal of Chemical Physics 153 (14), 2020‏
412020
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مقالات 1–20