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  • 4 Similar Profiles
Carbonation Chemical Compounds
Carbonates Chemical Compounds
Dissolution Chemical Compounds
Secondary ion mass spectrometry Chemical Compounds
Construction industry Chemical Compounds
Molecular dynamics Engineering & Materials Science
self assembly Physics & Astronomy
Raman spectroscopy Chemical Compounds

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Research Output 2011 2019

9 Downloads (Pure)

An introduction to classical molecular dynamics simulation for experimental scattering users

Mccluskey, A., Grant, R., Symington, A., Snow, T., Doutch, J., Morgan, B., Parker, S. & Edler, K., 1 Jun 2019, In : Journal of Applied Crystallography. 52, 3, p. 665-668 4 p.

Research output: Contribution to journalArticle

Open Access

Assessing molecular simulation for the analysis of lipid monolayer reflectometry

McCluskey, A., Grant, R., Smith, A. J., Rawle, J. L., Barlow, D. J., Lawrence, M. J., Parker, S. C. & Edler, K. J., 3 Jul 2019, In : Journal of Physics Communications. 3, 7, p. 1-12 13 p., 075001.

Research output: Contribution to journalArticle

Open Access
2 Citations (Scopus)

DL_MONTE: a multipurpose code for Monte Carlo simulation

Brukhno, A. V., Grant, J., Underwood, T. L., Stratford, K., Parker, S. C., Purton, J. A. & Wilding, N. B., 1 Feb 2019, In : Molecular Simulation.

Research output: Contribution to journalArticle

Open Access

Molecular simulation of hydrogen storage and transport in cellulose

Stalker, M. R., Grant, J., Yong, C. W., Ohene-Yeboah, L., Mays, T. J. & Parker, S. C., 27 Mar 2019, In : Molecular Simulation. p. 1-10 10 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)
5 Downloads (Pure)

A Domain Specific Language for Performance Portable Molecular Dynamics Algorithms

Saunders, W. R., Grant, J. & Müller, E., 1 Mar 2018, In : Computer Physics Communications. 224, p. 119–135 17 p.

Research output: Contribution to journalArticle

Open Access
Molecular dynamics
molecular dynamics
Computer systems
Parallel architectures


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

Grant, J. (Creator), Pesce, G. (Creator), Parker, S. (Creator), Molinari, M. (Creator), Ball, R. (Creator), University of Bath, 2 Feb 2017


An experimental and computational study to resolve the composition of dolomitic lime.

Grant, J. (Creator), Pesce, G. (Creator), Ball, R. (Creator), Parker, S. (Creator), University of Bath, 18 Jan 2016



Development Of A Performance-Portable Framework For Atomistic Simulations

Author: Saunders, W. R., 13 Feb 2019

Supervisor: Mueller, E. (Supervisor), Parker, S. (Supervisor), Grant, R. (Supervisor) & Scheichl, R. (Supervisor)

Student thesis: Doctoral ThesisPhD


Order from Disorder: Measuring Reversibility and Local Equilibration in Self-Assembly

Author: Grant, J., 17 Oct 2012

Supervisor: Jack, R. (Supervisor)

Student thesis: Doctoral ThesisPhD