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Aron ⇋ e⁻
aronwalsh.github.io
did:plc:attf35twdliz775dorg4y3z6
#CompChemSky help 🚨 "Energy above convex hull" is widely used as a metric in computational materials screening. The concept is basic thermodynamics, but early examples of tackling this from first principles? I have Wolverton & Ozoliņš (2007), but I guess much earlier https://journals.aps.org/prb/abstract/10.1103/PhysRevB.75.064101
2025-01-15T11:00:32.449Z