WMD-group/SMASH.jl
First there was POTATO; now we have reconstituted SMASH
Python package to aid materials design and informatics
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First there was POTATO; now we have reconstituted SMASH
A forcefield to describe the structures and properties of metal-organic frameworks
DFT optimised crystal structures of inorganic and hybrid halide perovskites
Thermodynamic modelling of Cu2ZnSnS4 (CZTS) phase equilibria