Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.

MEA Steady State Model

Solvent Crossflow Heat Exchanger Calculator: A Process model in Aspen Plus to optimize the size of the heat exchangers and their log-mean temperature difference (LMTD) to minimize capital and operating expenses.

Solvent Eluent Strength Translator

MEA Dynamic Model

WWC: OpenFOAM Wetted Wall Simulation Package

High Viscosity Solvent Model, 2-MPZ: Basic data model in Aspen Plus format for 2-MPZ system.

Report from VOF simulations. Correlation of interfacial and wetted area for inclined plate.

Code to generate randomised initial periodic molecular structure with 2 molecule types for MD simulations