| 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 | 51 | 2021 |
| Towards better efficiency of interatomic linear machine learning potentials AM Goryaeva, JB Maillet, MC Marinica Computational Materials Science 166, 200-209, 2019 | 51 | 2019 |
| 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 | 50 | 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 | 39 | 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 | 33 | 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 | 30 | 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 | 26 | 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 | 21 | 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 | 19 | 2020 |
| 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 | 18 | 2023 |
| 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 | 16 | 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 |
| 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 |
| 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 | 8 | 2023 |
| 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 | 8* | 2020 |
| Prediction of Mechanical Twinning in Magnesium Silicate Post-Perovskite P Carrez, A Goryaeva, P Cordier Scientific Reports 7, 17640, 2017 | 6 | 2017 |
| 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 | 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 |
Mihai-Cosmin MarinicaCEA SaclayVerified email at cea.fr
