The Modelling and Simulation team has developed numerous modelling tools which are often available for applications.
HRMC is an atomistic Monte Carlo modelling code that trials atomic configurations, while fitting experimentally motivated constraints and simultaneously minimizing […]
Quantum mechanical calculations typically involve some trade-off between the accuracy of the method (i.e. how well the real-world chemistry and […]
NCPac is an analysis package for the output positional files from molecular dynamics, Monte Carlo and other types of particle […]
The Computational Modelling Group’s Software Engineering & Visualisation Team develop Workspace, a powerful, cross-platform scientific workflow framework that enables collaboration […]
PorosityPlus is a pore characterization and analysis code which calculates the porosity, internal surface area and pore size distribution using […]
