HRMC is an atomistic Monte Carlo modelling code that trials atomic configurations, while fitting experimentally motivated constraints and simultaneously minimizing the […]
Many of the important property of materials, composites and aggregates of particles relate to the lack of matter; the voids. […]
A host of modules for analysing the structure and connectivity of materials and nanostructure, in detail. Each module takes as […]
The understanding of nanoparticle self-assembly and aggregation has applications in fields as diverse as nanophotonics and drug delivery in medicine. […]
Quantum mechanical calculations typically involve some trade-off between the accuracy of the method (i.e. how well the real-world chemistry and […]
