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cond-mat.mtrl-sci2026
Hereditary Effective Atom Theory for Large-Scale Atomic Structure Prediction
Justin Tahmassebpur, Chia-Hao Lee, Cristóbal Méndez +6
Predicting the atomic structure of large systems requires simultaneous exploration of atomic positions, species, and, generally, the number of atoms. The combinatorial growth of po…
cond-mat.mtrl-sci2026
A geometric basis for materials families in inorganic solids
Justin Tahmassebpur, Sarvesh Chaudhari, Cristóbal Méndez +6
The thermodynamic stability of inorganic solids spans a vast compositional space, yet materials scientists have long organized their intuition around a manageable number of materia…