WMD-group/GQCA_alloys
Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)
DFT optimised crystal structures of inorganic and hybrid halide perovskites
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Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)
Computational experiments using SMACT for materials design
Research group website
A collection of crystal structures from first-principles simulations