3 papers
cond-mat.mtrl-sci2026
Hereditary Effective Atom Theory for Large-Scale Atomic Structure Prediction
Justin Tahmassebpur, Chia-Hao Lee, Cristobál Méndez +4
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.supr-con2026
From Atomistic Impurity Landscapes to Two-Level-System Distributions and Microwave Loss: Hydrogen-Induced Losses in NbO and TaO
Cristóbal Méndez, Tomás A. Arias, Sarvesh Chaudhari
We introduce a first-principles-guided framework for predicting statistical TLS distributions from mobile impurities in disordered materials. Machine-learned interatomic potentials…
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…