News |
| 2019-02-09 |
Our collaborative work with Naili's group
on the origin of heat capacity and anisotropic thermal expansion in hydroxyapatite nanoporous materials
has been accepted in Materialia.
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| 2018-12-19 |
Our collaborative work with Resmini's group
on the self-assembly of adenosine analogues in solution has been accepted in Physical Chemistry Chemical Physics.
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| 2018-11-29 |
Devis has given a talk at the 2018 Granada-Munster Discussion Meeting
on Mineral-Fluid Interface, University of Munster,
"On the dynamics of water around Mg2+ and the effect of counterions"
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| 2018-10-27 |
Our collaborative work with Crespo-Otero's group
on water oxidation catalysed by quantum-sized BiVO4 has been accepted in
Journal of Materials Chemistry A.
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| 2018-10-11 |
Etienne has successfully passed his PhD viva - thanks to Stephen Parker (Bath) and Colin Seaton (Bradford) for examining.
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| 2018-10-10 |
Our paper on interatomic potentials of Mg ions in aqueous solutions has been accepted in the
European Journal of Mineralogy.
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| 2018-10-05 |
Welcome to Xiangwen Wang, who joins the group to start her PhD studies on the project "Bridging Molecular and Macroscopic Models of Solution Thermodynamics".
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| 2018-10-01 |
Welcome to Jerrin Ali (BSc) and Micaela Mapaye (MSci), who joins the group to work on their final year project.
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| 2018-08-27 |
Our collaborative paper with Naili's group on the anomalous behavior of water in hydroxyapatite mesopores
has been accepted in Computational Materials Science.
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| 2018-07-07 |
New publication in collaboration with
Alejandro Fernandez-Martinez on the nanoscopic dynamics in amorphous carbonates in the Journal of Physical Chemistry C
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| 2018-05-04 |
Devis has given a seminar at the University of Trieste,
"Modelling Processes of Crystal Growth and Nucleation from Solution"
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| 2018-04-26 |
Congratulations to Amira Uddin, who has been awarded an
Undergraduate Research Bursary from the Royal Society of Chemistry to conduct a summer research project in our group.
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| 2018-01-19 |
Congratulations to Etienne for his publication in Pharmaceutics on the Solvation and Aggregation of Meta-aminobenzoic Acid in Water.
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| 2017-12-20 |
A QMUL Principal's Postgraduate Research Studentships is available in our group.
Please send a CV and any questions to Devis Di Tommaso
|
| 2017-11-30 |
Devis has given a talk at the 2017 Granada Munster Discussion Meeting
on Mineral Reactivity, University of Granada,
"Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements"
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| 2017-11-16 |
Devis has visited the group of Prof Gun-Sik Park at Seoul National University,
where he gave a lecture on "Computer Simulations of Electrolyte Solutions"
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| 2017-16-27 |
Devis has given a talk at GeoBremen 2017, "Atomistic Simulations of Water Confined in Hydroxyapatite Nanopores"
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| 2017-09-25 |
Welcome to Xinxing Zhang, who joins the group to start her PhD studies.
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| 2017-07-21 |
Our collaborative paper with Naili group on epoxy/clay nanocomposite has been accepted in
Computational Materials Science
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| 2017-07-21 |
Our collaborative paper with de Leeuw group on Posner's clusters has been accepted in
Journal of Materials Chemistry B
|
| 2017-06-29 |
Etienne has given a talk at the 48th BACG Annual Conference at University of Manchester,
"Simulating the Aggregation and Surface Reactivity of meta-Aminobenzoic Acid: Implications for Crystal Growth and Polymorphism"
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| 2017-06-28 |
Manjit has presented a poster at the 48th BACG Annual Conference at University of Manchester,
"Ab Initio Models of Glass-Ionomer Cements"
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| 2017-04-11 |
Devis has given a talk at the conference "Advances in computational and experimental studies of solids" in honour of
Professor Richard Catlow's 70th birthday
at Abingdon, "Atomistic Simulations of Water Confined in Hydroxyapatite Nanopores"
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| 2017-02-10 |
Our paper on the effect of nanoconfinement and solution composition on the surface reactivity of hydroxyapatite has been has been accepted in Crystals
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| 2017-02-07 |
Our paper on molecular approaches to study water molecules confined between hydroxyapaptite surfaces in collaboration with the groups of Professor Salah Naili (University Paris-Est Creteil) and Professor Nora de Leeuw (Cardiff University) has been accepted in Applied Surface Science
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| 2017-01-30 |
Our paper on the anisotropic diffusion of water in hydroxyapatite nanopores in collaboration with the groups of Professor Salah Naili (University Paris-Est Creteil) and Professor Nora de Leeuw (Cardiff University) has been accepted in Physics and Chemistry of Minerals
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| 2016-11-25 |
Devis has given a talk at the 2016 Granada-Munster Discussion Meeting On Crystal Growth and Biomineralization at University of Munster,
"Molecular dynamics simulations of hydroxyapatite nanopores in contact with electrolyte solutions"
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| 2016-11-25 |
Etienne has given a talk at the 2016 Granada-Munster Discussion Meeting On Crystal Growth and Biomineralization at University of Munster,
"Molecular aggregation and surface reactivity of meta-aminobenzoic acid studied using ab-initio and molecular dynamics methods"
|
| 2016-10-18 |
We are currently advertising international PhD scholarship opportunities in the group to start in 2017.
Examples of relevant schemes include the China Scholarship Scheme (CSC), Consejo Nacional de Ciencia y Tecnologia (CONACYT) and
Commonwealth Scholarships.
If you are interested please see opportunities
|
| 2016-06-28 |
Etienne has given a talk at the joint
CGOM12/BACG2016 conference at University of Leeds,
"The role of solvent in the self-assembly of m-aminobenzoic acid: a DFT and molecular dynamics study"
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| 2016-06-23 |
Our paper on the comparison between periodic- and cluster-models to compute glass structure and properties of glasses has been accepted in the Journal of Non-Crystalline Solids
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| 2016-04-06 |
Etienne has given a talk at the UK's HEC Materials Chemistry Consortium conference at Cardiff University, "The role of solvent in the self-assembly of m-aminobenzoic acid: a DFT and molecular dynamics study"
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| 2016-04-06 |
Devis has given a talk at the 2016 BCA Spring Meeting at University of Nottingham, "Modelling the nucleation and growth of organic and inorganic crystals"
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| 2016-15-03 |
Opportunities for PhD studentship currently available: We are looking for an outstanding candidate (must be Pakistani national) for a Queen Mary - Higher Education Commission PhD studentship.
General information can be found here.
Before applying, please send a CV and any questions to Devis Di Tommaso.
|
| 2016-03-15 |
Congratulations to Etienne for his publication in CrystEngComm on the role of solvent in the early stages of organic molecules crystallization.
|
| 2015-11-27 |
Devis has given a talk at the 2015 Granada-Munster Discussion Meeting On Crystal Growth and Biomineralization at University of Granada, "Structural and Spectroscopic Properties of Water around Magnesium Ions"
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| 2015-11-12 |
Our paper on the predisposed flexibility of bioactive glass ionomer cements has been accepted in Physical Chemistry Chemical Physics
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| 2015-06-22 |
Congratulations to Etienne for receiving 2nd Poster Prize award at the 2015 annual conference of the "British Association for Crystal Growth".
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| 2015-03-20 |
Our paper on the properties of water confined in hydroxy-apatite nanopores in collaboration with the groups of Professor Salah Naili (University Paris-Est Creteil) and Professor Nora de Leeuw (Cardiff University) has been accepted in Theoretical Chemistry Accounts
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| 2015-02-04 |
Devis Di Tommaso is the organizer of the 46th British Association for Crystal Growth conference, which will be held at Queen Mary (21-23 June 2015). Enquiries may be addressed to Dr Di Tommaso.
|
| 2014-12-15 |
Possible PhD position funded by the Materials Research Institute of Queen Mary. Informal enquiries may be addressed to Dr Di Tommaso.
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| 2014-11-26 |
Devis has given a talk at the 2014 Granada-Munster Discussion Meeting On Crystal Growth and Biomineralization at University of Munster, "Modelling processes of solvent exchange on metals ions and molecular self-association from solution"
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| 2014-10-30 |
Our paper on the formation of oligomers of carboxylic clusters from solution has been accepted in the Journal Physical Chemistry A
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| 2014-10-28 |
Devis has given an invited talk at the School of Physics and Astronomy of Queen Mary, "Modelling processes of solvent exchange on metals ions and molecular self-association from solution"
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| 2014-10-24 |
Devis has given an invited talk at the School of Mathematics and Physics of Queen's Belfast University, "Modelling processes of solvent exchange on metals ions and molecular self-association from solution"
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| 2014-10-16 |
Devis has given an invited talk at the Thomas Young Centre Welcome Day at Queen Mary, "Modelling processes of solvent exchange on metals ions and molecular self-association from solution"
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| 2014-08-05 |
Our group is now a member of the Thomas Young Centre, the London Centre for the Theory and Simulation of Materials
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| 2014-08-01 |
Devis has given a talk at the Recent Appointees in Materials Modelling (RAMM) conference at Imperial College London, "The Effects of Surface Topography and Solution Composition on the Hydration of Calcium Ions"
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| 2014-07-14 |
Devis has given a talk at the 45th British Association for Crystal Growth annual conference in Leeds, "Modelling the Crystallization of Organic Molecules from Solution"
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| 2014-07-13 |
Devis is now a member of the British Association for Crystal Growth committee
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| 2014-05-26 |
Devis has given an invited talk at at the CECAM workshop in Lugano, "The Thermodynamic Stability of Organic Clusters Computed Using a Quantum Mechanical Continuum Solvation Approach"
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| 2014-05-25 |
Devis is an invited speaker at the CECAM workshop Molecular Simulations of Crystallization from Solution in Lugano, Switzerland
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| 2014-05-16 |
Devis has given an invited talk at University of Cardiff, "The Thermodynamic Stability of Organic Clusters Computed Using a Quantum Mechanical Continuum Solvation Approach"
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| 2014-03-06 |
Our paper on the effects of electrolytes on the hydration properties of calcium ions has been accepted in Physical Chemistry Chemical Physics
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| 2014-10-05 |
Devis has given an invited talk at Queen Mary University of London, "Computational Chemistry Applied to Catalysis, Amorphous Materials and Crystal Growth: From Rationalization to Prediction"
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| 2013-10-05 |
Our group is now a member of the HPC Material Chemistry Consortium
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| 2013-10-05 |
Devis has given a talk at HPC Material Chemistry Consortium, "In Silico Prediction of Crystal Polymorphism during Nucleation from Solution"
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