[People > Julian Gale > Software]
We are actively involved in the development of software for materials science and nanotechnology, based on both forcefield and quantum mechanical methods. Below are brief descriptions of the codes that we are involved with the development of, along with links to web sites where more information can be found.
This program performs forcefield calculations on molecules, polymers, surfaces and solids. While originally having been written for ionic materials, it now has the appropriate functionality to study organics and metals too.
This is a collaborative development of linear-scaling electronic structure methods for molecules, surfaces and condensed phases.
ZeoTsites is a program written with Dr German Sastre for the characterisation of framework topologies.