| A potential C-S-H nucleation mechanism: atomistic simulations of the portlandite to C-S-H transformation XM Aretxabaleta, J López-Zorrilla, I Etxebarria, H Manzano Cement and Concrete Research 162, 106965, 2022 | 17 | 2022 |
| Multi-step nucleation pathway of CSH during cement hydration from atomistic simulations XM Aretxabaleta, J López-Zorrilla, I Etxebarria, H Manzano Nature Communications 14 (1), 7979, 2023 | 16 | 2023 |
| ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training J López-Zorrilla, XM Aretxabaleta, IW Yeu, I Etxebarria, H Manzano, ... The Journal of Chemical Physics 158 (16), 2023 | 8 | 2023 |
| Electronic and elastic properties of brownmillerite XM Aretxabaleta, I Etxebarria, H Manzano Materials Research Express 7 (1), 015516, 2020 | 7 | 2020 |
| The initial stages of cement hydration at the molecular level X Xu, C Qi, XM Aretxabaleta, C Ma, D Spagnoli, H Manzano Nature Communications 15 (1), 2731, 2024 | 5 | 2024 |
| Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole FJ Zuniga, AJ Cruz-Cabeza, XM Aretxabaleta, N de la Pinta, T Breczewski, ... IUCrJ 5 (6), 706-715, 2018 | 5 | 2018 |
| The Dynamics of Digits: Calculating Pi with Galperin’s Billiards XM Aretxabaleta, M Gonchenko, NL Harshman, SG Jackson, M Olshanii, ... Mathematics 8 (4), 509, 2020 | 2 | 2020 |
| A kinetic Monte Carlo study of the C3S dissolution mechanism P Martin, JJ Gaitero, XM Aretxabaleta, MJA Qomi, H Manzano Cement and Concrete Research 180, 107502, 2024 | | 2024 |
| Elucidating the Synergistic Effects of Temperature Rise Inhibitor at the Water Tricalcium Silicate Interface J Huang, XM Aretxabaleta, Y Yan, Z Hu, H Manzano, J Liu The Journal of Physical Chemistry C 128 (16), 6800-6812, 2024 | | 2024 |
| Exploring the polymorphism of dicalcium silicates using transfer learning enhanced machine learning atomic potentials J López-Zorrilla, XM Aretxabaleta, H Manzano | | 2024 |
| Polymorphism in 2-propyl-1H-benzimidazole N De la Pinta, AJ Cruz-Cabeza, TomaszBreczewski, XM Aretxabaleta, ... ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 74, E339-E340, 2018 | | 2018 |
| Exploiting superspace to enable DFT calculations of modulated structures with disordered sites using the example of mullite PB Klar, XM Aretxabaleta, G Madariaga MDPI AG, 2018 | | 2018 |
