Sandra Caroline Galmarini

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Portlandite (Ca(OH)(2), CH) is the second most abundant hydrate formed in the reaction of Portland cement with water, making it an important component in the built environment. Formation of CH is closely linked to the growth of the main hydrate phase, calc ...

Carbon-based nanomaterials, such as carbon-encapsulated magnetic nanoparticles (CEMNP, core@shell), show a wide range of desirable properties for applications in the biomedical field (clinical MRI, hyperthermia), for energy production and storage (hydrogen ...

The exact mechanism of creep resistance enhancement due to yttrium (Y) doping in a-alumina is still subject to speculation, although it is known that dopants segregate strongly to grain boundaries. The current work applies atomistic simulation techniques t ...

While it is well established that the surface of a nanoparticle plays a pivotal role for the protein corona, the vast number of proteins present in biological media render general conclusions about affinities between nanoparticle surfaces and proteins nont ...

Microstructural control is a key aspect in producing ceramics with tailored properties and is often achieved by using dopants in a rather empirical fashion. Atomic scale simulations could provide much needed insight but the long-standing challenge of linki ...

This paper reviews atomistic force field parameterizations for molecular simulations of cementitious minerals, such as tricalcium silicate (C3S), portlandite (CH), tobermorites (model C-S-H). Computational techniques applied to these materials include clas ...

Sandra Caroline Galmarini

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Atomistic Simulations of Silicate Species Interaction with Portlandite Surfaces

Aqueous stabilisation of carbon-encapsulated superparamagnetic alpha-iron nanoparticles for biomedical applications

Atomistic Simulation of Y-Doped alpha-Alumina Interfaces

Beyond Unpredictability: The Importance of Reproducibility in Understanding the Protein Corona of Nanoparticles

Atomistic modeling of dopant segregation in alpha-alumina ceramics: Coverage dependent energy of segregation and nominal dopant solubility

Grain Growth in Doped Oxide Ceramics: From Nanosizes Powders and Atomistic Simulations to Tailored Interfaces

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

Atomistic Simulation of Cementitious Systems