Modelling the structural evolution of ternary phosphate glasses from melts to solid amorphous materials

Study of the Structural Role of Gallium and Aluminum in 45S5 Bioactive Glasses by Molecular Dynamics Simulations

(2013) Gianluca Malavasi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polarizable force field development and molecular dynamics study of phosphate-based glasses

(2012) Richard I. Ainsworth et al.   JOURNAL OF CHEMICAL PHYSICS

The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy

(2012) Alfonso Pedone et al.   JOURNAL OF MATERIALS CHEMISTRY

Calcium-based functionalization of carbon nanostructures for peptide immobilization in aqueous media

(2012) C. Cazorla et al.   JOURNAL OF MATERIALS CHEMISTRY

Ab initio molecular dynamics simulations of ion–solid interactions in Gd2Zr2O7 and Gd2Ti2O7

(2012) X. J. Wang et al.   Journal of Materials Chemistry C

A density functional theory study of structural, mechanical and electronic properties of crystalline phosphorus pentoxide

(2011) Richard I. Ainsworth et al.   JOURNAL OF CHEMICAL PHYSICS

Fluorine Environment in Bioactive Glasses:ab InitioMolecular Dynamics Simulations

(2011) Jamieson K. Christie et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The initial stages of bioglass dissolution: a Car-Parrinello molecular-dynamics study of the glass-water interface

(2011) A. Tilocca et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Models of structure, dynamics and reactivity of bioglasses: a review

(2010) Antonio Tilocca   JOURNAL OF MATERIALS CHEMISTRY

Structural investigation of iron phosphate glasses using molecular dynamics simulation

(2010) Bushra Al-Hasni et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Neutron scattering andab initiomolecular dynamics study of cross-linking in biomedical phosphate glasses

(2010) A J Parsons et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Quantitative Structure−Property Relationships of Potentially Bioactive Fluoro Phospho-silicate Glasses

(2009) G. Lusvardi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational Insight into the Effect of CaO/MgO Substitution on the Structural Properties of Phospho-Silicate Bioactive Glasses

(2009) Alfonso Pedone et al.   Journal of Physical Chemistry C

A molecular dynamics model of the atomic structure of dysprosium alumino-phosphate glass

(2009) Richard A Martin et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Structural models of bioactive glasses from molecular dynamics simulations

(2009) A. Tilocca   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Short- and medium-range structure of multicomponent bioactive glasses and melts: An assessment of the performances of shell-model and rigid-ion potentials

(2008) Antonio Tilocca   JOURNAL OF CHEMICAL PHYSICS

Bioactive functional materials: a perspective on phosphate-based glasses

(2008) Ensanya A. Abou Neel et al.   JOURNAL OF MATERIALS CHEMISTRY