Atomistic Modelling for the Study of Dissolution and Carbonation of Lime

Richard Ball , Marco Molinari , James Grant , Giovanni Pesce
36th Cement and Concrete Science Conference

2016
Atomistic simulations for nanostructured oxide thermoelectric materials

D C Sayle , Stephen Yeandel , F Azough , R Freer
Material Research Society Fall Meeting 2012

2012
Characterisation of Nanoporous Carbons for Hydrogen Storage Materials

Jemma Rowlandson , Karen Edler , Valeska Ting , Steve Parker
H2FC: Hydrogen & Fuel Cell SUPERGEN Researcher Conference

2015
Atomistic Modelling for Low-Carbon Cement and Concrete Technologies

Richard Ball , Marco Molinari , James Grant , Giovanni Pesce
International Workshop on Innovation in Low-carbon Cement & Concrete Technology

2016
Data set for Carbonation of Hydrous Materials at the Molecular Level: a ToF-SIMS, Raman and DFT Study

Richard Ball , Marco Molinari , James Grant , Steve Parker
University of Bath

2017
Information Delivery in Computational Mineral Science: The eMinerals Data Handling System

Toby White , Martin Dove , Richard Bruin , Kat Austen
international conference on e science

3
2006
Collaborative tools in support of the eMinerals Virtual Organisation

Martin T Dove , Mark Calleja , Richard Bruin , Jon Wakelin
Proceedings of the UK e-Science All Hands Meeting 127 -134

4
2004
Science outcomes from the use of Grid tools in the eMinerals project

Stephen Wells , Maria Alfredsson , James Bowe , John Brodholt
Proceedings of the UK e-Science All Hands Meeting 240 -247

5
2004
A comparative study of oxygen diffusion in PET and PEF using molecular modelling: computational insights into the mechanism for gas transport in bulk polymer systems

Jasmine Lightfoot , Bernardo Castro Dominguez , Steve Parker , Antoine Buchard
Macromolecules 55 ( 2) 498 -510

1
2022
Atomistic simulations studies of the bulk cobalt pentlandite (Co 9 S 8): Validation of the potential model

Mofuti Mehlape , Steve Parker , Phuti Ngoepe
APS March Meeting Abstracts 2013 W25. 014 -W25. 014

2013
Insights into the Atomic Structure of Calcium Aluminate Silicate Hydrates

Aslam Kunhi Mohamed , Sandra Galmarini , Steve Parker , Karen Scrivener
39 th Cement and Concrete Science Conference 2019 62 -62

Tungsten Bronze Barium Neodymium Titanate (Ba6–3nNd8+2nTi18O54): An Intrinsic Nanostructured Material and Its Defect Distribution

Feridoon Azough , Robert Joseph Cernik , Bernhard Schaffer , Demie Kepaptsoglou
Inorganic Chemistry 55 ( 7) 3338 -3350

11
2016
Investigating surface properties and lithium diffusion in brookite-TiO2

Corinne Arrouvel , Stephen Charles Parker
Journal of the Brazilian Chemical Society 31 ( 1) 51 -65

1
2020
Computer modelling of minerals

Stephen Charles Parker
University of London

11
1982
Influence of carbon dioxide on the energetics of cerium oxide surfaces and nanoparticle morphology

Adam Symington , Robert M Harker , Mark T Storr , Marco Molinari

1
2020
Investigating Surface Properties and Lithium Diffusion in Brookite-TiO2 (vol 31, pg 51, 2020)

Corinne Arrouvel , Stephen Charles Parker
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY 31 ( 6) 1333 -1333

1
2020
Tungsten Bronze Barium Neodymium Titanate (Ba6-3nNd8): an Intrinsic Nanostructured Material and its Defect Distribution

Feridoon Azough , Robert Joseph Cernik , Bernhard Schaffer , Despoina-Maria Kepaptsoglou

2016
Molecular modelling of carbon dioxide adsorption in zeolites

JC CRABTREE , SC PARKER , JA PURTON
J. Phys. Chem. B 109 16084 -16091

2005