dr antonio tilocca
- Room G19B
- Department of Chemistry
- WC1H 0AJ
- Senior Research Fellow
- Dept of Chemistry
- Faculty of Maths & Physical Sciences
The research activity focuses 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 which contribute to explain the biological behaviour of bioglasses. It is certainly rewarding (well, it certainly is for me...) 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 structural markers of bioactivity (e.g., here) are now inspiring very similar computational studies for very similar amorphous biomaterials.
I have authored > 50 research papers on peer-reviewed journals, which have received ~1500 citations to date (ISI h-index: 26).
For additional information please visit my UCL webpage
- Bioactive Glass for tissue repair and regeneration
- Fluorine- and titanium-doped Bioglass
- Glass vectors for in-situ radiotherapy
- Simulations of Biomaterial Surfaces and Interfaces
- Simulations of the Water/Titanium Oxide Interface
Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics
Molecular Dynamics Simulations and Structural Descriptors of Radioisotope Glass Vectors for In-Situ Radiotherapy
Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses
The initial stages of bioglass dissolution: a Car-Parrinello Molecular Dynamics study of the glass-water interface
Bioactive glasses as potential radioisotope vectors for in-situ cancer therapy: investigating the structural effects of yttrium
2000PhDDoctor of PhilosophyUniversita degli Studi di Sassari
1995LAULaureaUniversita degli Studi di Sassari
I graduated in Chemistry at University of Sassari (Italy), where I also obtained my PhD in Physical Chemistry in 2000. Afterwards I held postdoctoral positions at University of Insubria-Como (Italy, 2000-02), Princeton University (USA, 2002-04) and UCL (2005-06). In 2006 I was awarded a Royal Society University Research Fellowship, which I currently hold at UCL Chemistry.
- 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 Maria Cristina Menziani
- Prof Mattias Eden
- Piero Ugliengo