Publikationen in Zusammenarbeit mit Forschern von Massachusetts Institute of Technology (25)

2022

  1. All topological bands of all nonmagnetic stoichiometric materials

    Science, Vol. 376, Núm. 6595

  2. Topological materials discovery from crystal symmetry

    Nature Reviews Materials, Vol. 7, Núm. 3, pp. 196-216

2021

  1. Magnetic topological quantum chemistry

    Nature Communications, Vol. 12, Núm. 1

  2. Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates

    Cement and Concrete Research, Vol. 142

2020

  1. High-throughput calculations of magnetic topological materials

    Nature, Vol. 586, Núm. 7831, pp. 702-707

2017

  1. cemff: A force field database for cementitious materials including validations, applications and opportunities

    Cement and Concrete Research, Vol. 102, pp. 68-89

2015

  1. Hysteresis from multiscale porosity: Modeling water sorption and shrinkage in cement paste

    Physical Review Applied, Vol. 3, Núm. 6

  2. Insight on tricalcium silicate hydration and dissolution mechanism from molecular simulations

    ACS Applied Materials and Interfaces, Vol. 7, Núm. 27, pp. 14726-14733

  3. 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

  4. 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

  5. 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

  6. 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

  1. Modelling cement at fundamental scales: From atoms to engineering strength and durability

    COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1

  2. Modelling cement at fundamental scales: From atoms to engineering strength and durability

    Computational Modelling of Concrete Structures - Proceedings of EURO-C 2014

  3. 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

  1. 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

  2. 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

  3. Shear deformations in calcium silicate hydrates

    Soft Matter, Vol. 9, Núm. 30, pp. 7333-7341

  4. 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

  1. 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