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Alexandra Goryaeva
Alexandra Goryaeva
CEA Saclay, France
Verified email at cea.fr
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Cited by
Cited by
Year
Perspectives on multiscale modelling and experiments to accelerate materials development for fusion
MR Gilbert, K Arakawa, Z Bergstrom, MJ Caturla, SL Dudarev, F Gao, ...
Journal of Nuclear Materials 554, 153113, 2021
502021
Towards better efficiency of interatomic linear machine learning potentials
AM Goryaeva, JB Maillet, MC Marinica
Computational Materials Science 166, 200-209, 2019
502019
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
422021
Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores
A Goryaeva, C Lapointe, C Dai, J Dérès, JB Maillet, MC Marinica
Nature Communications 11, 4691, 2020
372020
Quantum de-trapping and transport of heavy defects in tungsten
K Arakawa, MC Marinica, S Fitzgerald, L Proville, D Nguyen-Manh, ...
Nature Materials 19 (5), 508-511, 2020
312020
Low viscosity and high attenuation in MgSiO3 post-perovskite inferred from atomic-scale calculations
AM Goryaeva, P Carrez, P Cordier
Scientific Reports 6, 34771, 2016
282016
Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2—screw and edge [100] dislocations
AM Goryaeva, P Carrez, P Cordier
Physics and chemistry of minerals 42 (10), 793-803, 2015
262015
Interatomic potentials for irradiation-induced defects in iron
R Alexander, L Proville, CS Becquart, AM Goryeava, J Dérès, C Lapointe, ...
Journal of Nuclear Materials 535, 152141, 2020
192020
Influence of an amorphous surface layer on the mechanical properties of metallic nanoparticles under compression
AM Goryaeva, C Fusco, M Bugnet, J Amodeo
Physical review materials 3 (3), 033606, 2019
192019
Deformation, crystal preferred orientations, and seismic anisotropy in the Earth's D″ layer
A Tommasi, A Goryaeva, P Carrez, P Cordier, D Mainprice
Earth and Planetary Science Letters 492, 25-46, 2018
182018
Modeling defects and plasticity in MgSiO3 post-perovskite: Part 3 - screw and edge [001] dislocations
AM Goryaeva, P Carrez, P Cordier
Physics and Chemistry of Minerals 44 (7), 521–533, 2017
162017
Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods
P Grigorev, AM Goryaeva, MC Marinica, JR Kermode, TD Swinburne
Acta Materialia 247, 118734, 2023
132023
Modeling defects and plasticity in MgSiO3 post-perovskite: Part 1—generalized stacking faults
AM Goryaeva, P Carrez, P Cordier
Physics and Chemistry of Minerals 42, 781-792, 2015
132015
Atomistic simulations of mixing properties and the local structure of the (Ca, Sr) 10 [PO4] 6F2 solid solution
AM Goryaeva, VS Urusov, NN Eremin
European Journal of Mineralogy 25 (6), 947-955, 2013
132013
Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science
J Baima, AM Goryaeva, TD Swinburne, JB Maillet, M Nastar, MC Marinica
Physical Chemistry Chemical Physics 24 (38), 23152-23163, 2022
92022
A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations
L Messina, A Quaglino, A Goryaeva, MC Marinica, C Domain, N Castin, ...
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2020
7*2020
Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals
AM Goryaeva, C Domain, A Chartier, A Dézaphie, TD Swinburne, K Ma, ...
Nature Communications 14 (1), 3003, 2023
62023
Prediction of Mechanical Twinning in Magnesium Silicate Post-Perovskite
P Carrez, A Goryaeva, P Cordier
Scientific Reports 7, 17640, 2017
62017
Anharmonic thermo-elasticity of tungsten from accelerated bayesian adaptive biasing force calculations with data-driven force fields
A Zhong, C Lapointe, AM Goryaeva, J Baima, M Athènes, MC Marinica
Physical Review Materials 7 (2), 023802, 2023
42023
On sampling minimum energy path
M Ramil, C Boudier, AM Goryaeva, MC Marinica, JB Maillet
Journal of Chemical Theory and Computation 18 (10), 5864-5875, 2022
42022
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