Order-(dis)order family trees show that many apparently novel ordered crystals are symmetry-derived from experimentally known disordered parents, with symmetry-constrained generative models producing 2-4x fewer such cases.
Effi- cient crystal structure prediction based on the symmetry principle.Nature Computational Science, 5(3):255–267, February 2025
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Navigating Order-(Dis)Order Family Trees via Group-Subgroup Transitions
Order-(dis)order family trees show that many apparently novel ordered crystals are symmetry-derived from experimentally known disordered parents, with symmetry-constrained generative models producing 2-4x fewer such cases.