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Numerical studies of shear-thinning droplet formation in a microfluidic T-junction using two-phase level-set method (2017)
Journal Article
Wong, V. L., Loizou, K., Lau, P., Graham, R. S., & Hewakandamby, B. N. (2017). Numerical studies of shear-thinning droplet formation in a microfluidic T-junction using two-phase level-set method. Chemical Engineering Science, 174, https://doi.org/10.1016/j.ces.2017.08.027

A conservative level-set method (LSM) embedded in a computational fluid dynamics (CFD) simulation provides a useful approach for the studying the physics and underlying mechanism in two-phase flow. Detailed two-dimensional (2D) computational microflu... Read More about Numerical studies of shear-thinning droplet formation in a microfluidic T-junction using two-phase level-set method.

Interpolation of intermolecular potentials using Gaussian processes (2017)
Journal Article
Uteva, E., Graham, R. S., Wilkinson, R. D., & Wheatley, R. J. (2017). Interpolation of intermolecular potentials using Gaussian processes. Journal of Chemical Physics, 147(16), Article 161706. https://doi.org/10.1063/1.4986489

A procedure is proposed to produce intermolecular potential energy surfaces from limited data. The procedure involves generation of geometrical configurations using a Latin hypercube design, with a maximin criterion, based on inverse internuclear dis... Read More about Interpolation of intermolecular potentials using Gaussian processes.

Monte Carlo simulation of single-chain square-well homopolymers (2017)
Journal Article
Wicks, T. J., Wattis, J. A., & Graham, R. (2018). Monte Carlo simulation of single-chain square-well homopolymers. Manuscript submitted for publication

We present Monte Carlo simulations of the crystallisation transition of single-chain square-well homopolymers. We combine parallel tempering with a non-standard choice of tempering levels, a bespoke biasing strategy and a method to map results betwe... Read More about Monte Carlo simulation of single-chain square-well homopolymers.