Alexandra Goryaeva

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Mihai-Cosmin MarinicaCEA SaclayAdresse e-mail validée de cea.fr
Patrick CordierLilleAdresse e-mail validée de univ-lille1.fr
Thomas D SwinburneCNRS Researcher, CINaM, MarseilleAdresse e-mail validée de cnrs.fr
jean-bernard MailletCEAAdresse e-mail validée de cea.fr
Clovis LapointeSRMP - CEA SaclayAdresse e-mail validée de cea.fr
James KermodeProfessor of Materials Modelling, School of Engineering, University of WarwickAdresse e-mail validée de warwick.ac.uk
Jacopo BaimaPostdoctoral researcher, CEA Saclay, ParisAdresse e-mail validée de insp.upmc.fr
Petr GrigorevCentre Interdisciplinaire de Nanoscience de MarseilleAdresse e-mail validée de cinam.univ-mrs.fr
ProvilleCEA université paris saclayAdresse e-mail validée de cea.fr
Steve FitzgeraldDepartment of Applied Mathematics, University of LeedsAdresse e-mail validée de leeds.ac.uk
Sergei DudarevUKAEAAdresse e-mail validée de ukaea.uk
Pui-Wai MaCulham Centre for Fusion EnergyAdresse e-mail validée de ccfe.ac.uk
Kazuto ARAKAWA (荒河一渡)Next Generation TATARA Co-Creation Centre (NEXTA), Shimane UniversityAdresse e-mail validée de riko.shimane-u.ac.jp
Christophe DomainEDF R&DAdresse e-mail validée de edf.fr
Matthieu BUGNETCNRS - French National Centre for Scientific ResearchAdresse e-mail validée de superstem.org
Jonathan AmodeoCNRS researcher @IM2NP lab., Aix-Marseille Univ., FranceAdresse e-mail validée de cnrs.fr
Claudio FuscoINSA LyonAdresse e-mail validée de insa-lyon.fr
David MainpriceCNRS Geosciences Montpellier, University de MontpellierAdresse e-mail validée de umontpellier.fr
Tommasi, AndréaCNRS & Université MontpellierAdresse e-mail validée de umontpellier.fr
Rolf KrauseFull Professor, Chair of Computational Science, Euler Institute, USI, Lugano; FernUni BrigAdresse e-mail validée de usi.ch

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Alexandra Goryaeva

CEA Saclay, France

Adresse e-mail validée de cea.fr

Atomic-scale modeling Machine Learning Defects Crystallography


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Towards better efficiency of interatomic linear machine learning potentials AM Goryaeva, JB Maillet, MC Marinica Computational Materials Science 166, 200-209, 2019	50	2019
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	47	2021
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	42	2021
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	36	2020
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	30	2020
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	27	2016
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	25	2015
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	19	2019
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	18	2020
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	18	2018
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	15	2017
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	13	2015
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	13	2013
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	12	2023
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	9	2022
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
Prediction of Mechanical Twinning in Magnesium Silicate Post-Perovskite P Carrez, A Goryaeva, P Cordier Scientific Reports 7, 17640, 2017	5	2017
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	4	2023
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	4	2022
Atomistic computer modeling of the local structure and mixing properties of Sr-bearing fluorapatite AM Goryaeva, VS Urusov, NN Eremin Moscow University Geology Bulletin 68, 368-379, 2013	4	2013

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