Propiedades estructurales, dinámicas y ópticas de materiales - GIC 21/183
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Massachusetts Institute of Technology
Cambridge, Estados UnidosPublications in collaboration with researchers from Massachusetts Institute of Technology (25)
2022
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All topological bands of all nonmagnetic stoichiometric materials
Science, Vol. 376, Núm. 6595
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Topological materials discovery from crystal symmetry
Nature Reviews Materials, Vol. 7, Núm. 3, pp. 196-216
2021
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Magnetic topological quantum chemistry
Nature Communications, Vol. 12, Núm. 1
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Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
Cement and Concrete Research, Vol. 142
2020
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High-throughput calculations of magnetic topological materials
Nature, Vol. 586, Núm. 7831, pp. 702-707
2017
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cemff: A force field database for cementitious materials including validations, applications and opportunities
Cement and Concrete Research, Vol. 102, pp. 68-89
2015
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Hysteresis from multiscale porosity: Modeling water sorption and shrinkage in cement paste
Physical Review Applied, Vol. 3, Núm. 6
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Insight on tricalcium silicate hydration and dissolution mechanism from molecular simulations
ACS Applied Materials and Interfaces, Vol. 7, Núm. 27, pp. 14726-14733
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Kinetic Simulations of Cement Creep: Mechanisms from Shear Deformations of Glasses
CONCREEP 2015: Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures - Proceedings of the 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures
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Kinetic simulations of cement creep: mechanisms from shear deformations of glasses
CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES
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Modelling Hysteresis in the Water Sorption and Drying Shrinkage of Cement Paste
CONCREEP 2015: Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures - Proceedings of the 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures
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Modelling hysteresis in the water sorption and drying shrinkage of cement paste
CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES
2014
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Modelling cement at fundamental scales: From atoms to engineering strength and durability
Computational Modelling of Concrete Structures - Proceedings of EURO-C 2014
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Modelling cement at fundamental scales: From atoms to engineering strength and durability
COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1
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The characterization, stability, and reactivity of synthetic calcium silicate surfaces from first principles
Journal of Physical Chemistry C, Vol. 118, Núm. 28, pp. 15214-15219
2013
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Kinetic simulation of the logarithmic creep of cement
Mechanics and Physics of Creep, Shrinkage, and Durability of Conrete: A Tribute to Zdenek P. Bazant - Proceedings of the 9th Int. Conf. on Creep, Shrinkage, and Durability Mechanics, CONCREEP 2013
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Mechanical behaviour of ordered and disordered calcium silicate hydrates under shear strain studied by atomic scale simulations
Mechanics and Physics of Creep, Shrinkage, and Durability of Conrete: A Tribute to Zdenek P. Bazant - Proceedings of the 9th Int. Conf. on Creep, Shrinkage, and Durability Mechanics, CONCREEP 2013
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Shear deformations in calcium silicate hydrates
Soft Matter, Vol. 9, Núm. 30, pp. 7333-7341
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Water isotherms, shrinkage and creep of cement paste: Hypotheses, models and experiments
Mechanics and Physics of Creep, Shrinkage, and Durability of Conrete: A Tribute to Zdenek P. Bazant - Proceedings of the 9th Int. Conf. on Creep, Shrinkage, and Durability Mechanics, CONCREEP 2013
2012
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Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties
Journal of the American Chemical Society, Vol. 134, Núm. 4, pp. 2208-2215