All Outputs (3)

Numerical studies of shear-thinning droplet formation in a microfluidic T-junction using two-phase level-set method (2017)
Journal Article

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

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

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.