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Investigating structural features which control the dissolution of bioactive phosphate glasses: Beyond the network connectivity

Journal of non-crystalline solids, 2016-01, Vol.432, p.31-34

2016

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Aluminosilicate Glasses As Yttrium Vectors for in situ Radiotherapy: Understanding Composition-Durability Effects through Molecular Dynamics Simulations

Chemistry of materials, 2010-06, Vol.22 (12), p.3725-3734

2010

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Clustering of fluoride and phosphate ions in bioactive glass from computer simulation

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2023-10, Vol.381 (2258)

Christie, Jamieson K.

2023

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Multi-layer Scaffolds of Poly(caprolactone), Poly(glycerol sebacate) and Bioactive Glasses Manufactured by Combined 3D Printing and Electrospinning

Nanomaterials (Basel, Switzerland), 2020-03, Vol.10 (4), p.626

2020

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

The Journal of chemical physics, 2012-12, Vol.137 (23), p.234502-234502

2012

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Development of a ReaxFF reactive force field for ternary phosphate-based bioactive glasses

The Journal of chemical physics, 2024-05, Vol.160 (18)

2024

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Structures and properties of phosphate-based bioactive glasses from computer simulation: a review

Journal of materials chemistry. B, Materials for biology and medicine, 2017-07, Vol.5 (27), p.5297-536

2017

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Bioactive glasses as potential radioisotope vectors for in situ cancer therapy: investigating the structural effects of yttrium

Physical chemistry chemical physics : PCCP, 2011-10, Vol.13 (39), p.17749-17755

2011

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An investigation into the adsorption mechanism of n -butanol by ZIF-8: a combined experimental and ab initio molecular dynamics approach

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19911-19922

2023

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Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations

The journal of physical chemistry. B, 2011-03, Vol.115 (9), p.2038-2045

2011

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Molecular Dynamics Simulations and Structural Descriptors of Radioisotope Glass Vectors for In Situ Radiotherapy

The journal of physical chemistry. B, 2012-10, Vol.116 (41), p.12614-12620

2012

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Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses

Biomaterials, 2014-08, Vol.35 (24), p.6164-6171

2014

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Structural properties and phase transitions in a silica clathrate

The Journal of chemical physics, 2011-02, Vol.134 (7), p.074506-074506-8

2011

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Atomic structure and dissolution properties of yttrium‐containing phosphate glasses

International journal of applied glass science, 2017-12, Vol.8 (4), p.412-417

2017

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Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffraction

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (12), p.854-8515

2017

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Nanoscale Chains Control the Solubility of Phosphate Glasses for Biomedical Applications

The journal of physical chemistry. B, 2013-09, Vol.117 (36), p.10652-10657

2013

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On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (39), p.21135-21143

2014

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Short-Range Structure of Yttrium Alumino-Silicate Glass for Cancer Radiotherapy: Car-Parrinello Molecular Dynamics Simulations

Advanced engineering materials, 2010-07, Vol.12 (7), p.B326-B330

2010

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Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses

Journal of materials chemistry, 2012-01, Vol.22 (24), p.1223-1231

2012

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Bioactive Sol-Gel Glasses at the Atomic Scale: The Complementary Use of Advanced Probe and Computer Modeling Methods

International journal of applied glass science, 2016-06, Vol.7 (2), p.147-153

2016

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An investigation into the adsorption mechanism of -butanol by ZIF-8: a combined experimental and molecular dynamics approach

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19911-19922

2023

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The role of fluoride in the nanoheterogeneity of bioactive glasses

European journal of glass science and technology. Part B, Physics and chemistry of glasses, 2017-08, Vol.58 (4), p.180-186

2017

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A new potential for radiation studies of borosilicate glass

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2017-02, Vol.393, p.73-76

2017

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On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp00574k

2014-09

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Atomic-scale clustering inhibits the bioactivity of fluoridated phosphate glasses

Biomedical glasses, 2019, Vol.5 (1), p.76-84

2019

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Investigating structural features which control the dissolution of bioactive phosphate glasses: Beyond the network connectivity

Aluminosilicate Glasses As Yttrium Vectors for in situ Radiotherapy: Understanding Composition-Durability Effects through Molecular Dynamics Simulations

Clustering of fluoride and phosphate ions in bioactive glass from computer simulation

Multi-layer Scaffolds of Poly(caprolactone), Poly(glycerol sebacate) and Bioactive Glasses Manufactured by Combined 3D Printing and Electrospinning

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

Development of a ReaxFF reactive force field for ternary phosphate-based bioactive glasses

Structures and properties of phosphate-based bioactive glasses from computer simulation: a review

Bioactive glasses as potential radioisotope vectors for in situ cancer therapy: investigating the structural effects of yttrium

An investigation into the adsorption mechanism of n -butanol by ZIF-8: a combined experimental and ab initio molecular dynamics approach

Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations

Molecular Dynamics Simulations and Structural Descriptors of Radioisotope Glass Vectors for In Situ Radiotherapy

Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses

Structural properties and phase transitions in a silica clathrate

Atomic structure and dissolution properties of yttrium‐containing phosphate glasses

Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffraction

Nanoscale Chains Control the Solubility of Phosphate Glasses for Biomedical Applications

On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations

Short-Range Structure of Yttrium Alumino-Silicate Glass for Cancer Radiotherapy: Car-Parrinello Molecular Dynamics Simulations

Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses

Bioactive Sol-Gel Glasses at the Atomic Scale: The Complementary Use of Advanced Probe and Computer Modeling Methods

An investigation into the adsorption mechanism of -butanol by ZIF-8: a combined experimental and molecular dynamics approach

The role of fluoride in the nanoheterogeneity of bioactive glasses

A new potential for radiation studies of borosilicate glass

On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp00574k

Atomic-scale clustering inhibits the bioactivity of fluoridated phosphate glasses

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