A pipeline samples site-disordered material configurations with 400 virtual cells when the supercell is large enough, improving computational feasibility over quasirandom or cluster expansion methods.
American Mineralogist88, 247–250 (2003)
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Virp: neural network-accelerated prediction of physical properties in site-disordered materials
A pipeline samples site-disordered material configurations with 400 virtual cells when the supercell is large enough, improving computational feasibility over quasirandom or cluster expansion methods.