Publications by the researcher in collaboration with Hegoi Manzano Moro (6)
2024
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Exploring the Polymorphism of Dicalcium Silicates Using Transfer Learning Enhanced Machine Learning Atomic Potentials
Journal of Chemical Theory and Computation, Vol. 20, Núm. 17, pp. 7682-7690
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pyCSH: Automated atomic-level structure generation of bulk C-S-H and investigation of their intrinsic properties
Cement and Concrete Research, Vol. 183
2023
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Multi-step nucleation pathway of C-S-H during cement hydration from atomistic simulations
Nature Communications, Vol. 14, Núm. 1
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ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training
The Journal of chemical physics, Vol. 158, Núm. 16
2022
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A potential C-S-H nucleation mechanism: atomistic simulations of the portlandite to C-S-H transformation
Cement and Concrete Research, Vol. 162
2021
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Relationship between Atomic Structure, Composition, and Dielectric Constant in Zr-SiO2Glasses
ACS Omega, Vol. 6, Núm. 43, pp. 28561-28568