Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
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…
cond-mat.mtrl-sci2025
Effective Atom Theory: Gradient-Driven ab initio Materials Design
Justin Tahmassebpur, Brandon Li, Boris Barron +3
We introduce Effective Atom Theory (EAT), a framework that transforms combinatorial materials design into a smooth, gradient-driven optimization within density functional theory (D…