Accepting PhD Students

20112020

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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
File
2 Citations (Scopus)
11 Downloads (Pure)

Analyzing mechanisms and microscopic reversibility of self-assembly

Grant, J., Jack, R. L. & Whitelam, S., 7 Dec 2011, In : Journal of Chemical Physics. 135, 21, 214505.

Research output: Contribution to journalArticle

File
27 Citations (Scopus)
119 Downloads (Pure)

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

Grant, J., Pesce, G. L., Ball, R. J., Molinari, M. & Parker, S. C., 2016, In : RSC Advances. 6, 19, p. 16066-16072 7 p.

Research output: Contribution to journalArticle

Open Access
File
4 Citations (Scopus)
104 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
9 Downloads (Pure)

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

Carbonation of Hydrous Materials at the Molecular Level: A Time of Flight-Secondary Ion Mass Spectrometry, Raman and Density Functional Theory Study

Pesce, G. L., Fletcher, I. W., Grant, R., Molinari, M., Parker, S. C. & Ball, R. J., 1 Mar 2017, In : Crystal Growth and Design. 17, 3, p. 1036-1044 9 p.

Research output: Contribution to journalArticle

Open Access
File
7 Citations (Scopus)
266 Downloads (Pure)

Data Without Software Are Just Numbers

Davenport, J. H., Grant, J. & Jones, C. M., 22 Jan 2020, In : Data Science Journal. 19, 1, p. 1-6 6 p., 3.

Research output: Contribution to journalArticle

Open Access

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
2 Citations (Scopus)

Fast electrostatic solvers for kinetic Monte Carlo simulations

Saunders, W., Grant, J., Müller, E. & Thompson, I., 29 Feb 2020, (Accepted/In press) In : Journal of Computational Physics. 28 p.

Research output: Contribution to journalArticle

File
7 Downloads (Pure)

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

Open Access
File
11 Downloads (Pure)

Quantifying reversibility in a phase-separating lattice gas: An analogy with self-assembly

Grant, J. & Jack, R. L., 2012, In : Physical Review E. 85, 2, 021112.

Research output: Contribution to journalArticle

File
7 Citations (Scopus)
129 Downloads (Pure)