dr antonio tilocca
- Room G19B
- Department of Chemistry
- WC1H 0AJ
- Senior Research Fellow
- Dept of Chemistry
- Faculty of Maths & Physical Sciences
My research activity focuses in general on structural, dynamical and electronic properties of oxide materials and of their interfaces, relevant to their application in areas of technological interest, such as biomedicine and photocatalysis.
Bioactive glasses, water on TiO2 surfaces and "Maya Blue" hybrid materials are the targets of current investigations. These systems are investigated through classical and ab-initio Molecular Dynamics, as well as total energy DFT calculations.
In my recent work on bioactive glasses (reviewed here) I have devised and developed new methods and computational/statistical approaches to model structural and dynamical properties of these complex materials, and used these approaches to expose hidden features, beyond "conventional" ones like the network connectivity, which contribute to explain the biological behaviour of bioglasses. It is certainly rewarding that the very same ideas and approaches that I have pioneered and explored, such as the first ab-initio models of bioglasses from Car-Parrinello MD (e.g., here) or the introduction of new unconventional structural markers of bioactivity (e.g., here) are now inspiring similar computational studies of related biomaterials.
The work on bioglasses is supported by a Royal Society University Research Fellowship and EPSRC grants (PI for projects Tailoring the atomic structure of advanced sol-gel materials for regenerative medicine through high-performance computing and Alumino- and bioactive-silicate glasses as effective yttrium carriers for in situ radiotherapeutic applications), for a > £1.5M total grant income as PI.I have authored > 60 research papers on peer-reviewed journals, which have received ~2000 citations to date (ISI h-index: 28).
For additional information please visit my UCL webpage
- Bioactive Glass for tissue repair and regeneration
- Biomaterial Surfaces and Interfaces
- Fluorine-doped Bioglass
- Glass vectors for in-situ radiotherapy
- Maya Blue pigments
- The water/titanium oxide interface
Atomic-scale models of early-stage alkali depletion and SiO2-rich gel formation in bioactive glasses.
Rationalizing the biodegradation of glasses for biomedical applications through classical and Ab-initio simulations
Ab initio simulations of the structure of thin water layers on defective anatase TiO2 (101) surfaces
Role of glass structure in defining the chemical dissolution behavior, bioactivity and antioxidant properties of zinc and strontium co-doped alkali-free phosphosilicate glasses.
Towards a Rational Design of Bioactive Glasses with Optimal Structural Features: Composition-Structure Correlations Unveiled by Solid-State NMR and MD Simulations.
Role of glass structure in defining the chemical dissolution behavior, bioactivity and antioxidant properties of zinc and strontium co-doped alkali-free phosphosilicate glasses
Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics
2000PhDDoctor of PhilosophyUniversita degli Studi di Sassari
1995LAULaureaUniversita degli Studi di Sassari
After obtaining a PhD in Physical Chemistry at University of Sassari (Italy), I held postdoctoral positions at University of Insubria-Como (Italy), Princeton University (USA) and UCL, where I currently hold a Royal Society University Research Fellowship.
- Ab-initio Simulations
- Adsorption and Reactivity at Surfaces
- Bioactive Glass
- Computer Simulations
- Maya Blue
- Molecular Dynamics
- Radionuclide Glass Vectors for Cancer Therapy
- Regenerative Medicine
- Titanium Oxide
- Prof José Maria Ferreira,
- Prof Annabella Selloni
- Dr Ashutosh Goel
- Prof Alastair Cormack
- Dr Alfonso Pedone
- Prof Piero Ugliengo
- Dr Julian Jones