| 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 | 25 | 2023 |
| A potential CSH nucleation mechanism: atomistic simulations of the portlandite to CSH transformation XM Aretxabaleta, J López-Zorrilla, C Labbez, I Etxebarria, H Manzano Cement and Concrete Research 162, 106965, 2022 | 20 | 2022 |
| 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 | 13 | 2023 |
| pyCSH: Automated atomic-level structure generation of bulk CSH and investigation of their intrinsic properties Z Casar, J López-Zorrilla, H Manzano, E Duque-Redondo, AK Mohamed, ... Cement and Concrete Research 183, 107593, 2024 | 2 | 2024 |
| Exploring the polymorphism of dicalcium silicates using transfer learning enhanced machine learning atomic potentials J López-Zorrilla, XM Aretxabaleta, H Manzano Journal of Chemical Theory and Computation 20 (17), 7682-7690, 2024 | 1 | 2024 |
| Cost-Effective Strategy of Enhancing Machine Learning Potentials by Transfer Learning from a Multicomponent Data Set on ænet-PyTorch AN El Aisnada, K Boonpalit, R van der Kruit, KM Draijer, J López-Zorrilla, ... The Journal of Physical Chemistry C, 2024 | | 2024 |
| CSH nucleation pathway from atomistic simulations X Aretxabaleta, J López-Zorrilla, I Etxebarria, H Manzano | | 2023 |
| Multi-step nucleation pathway of CSH during cement hydration from atomistic simulations X Méndez Aretxabaleta, J López Zorrilla, I Etxebarria Altzaga, ... Nature, 2023 | | 2023 |
| A potential CSH nucleation mechanism: atomistic simulations of the portlandite to CSH transformation X Méndez Aretxabaleta, J López Zorrilla, C Labbez, I Etxebarria Altzaga, ... Elsevier, 2022 | | 2022 |
| Mechanistic Insights into Calcium-Silicate-Hydrate Nucleation From Molecular Dynamics Simulations J López-Zorrilla, E Duque, P Martin, H Jiale, XM Aretxabaleta, JJ Gaitero, ... Available at SSRN 5114429, 0 | | |
