Contains the keyword 1st-principles calculation

Alam A, Johnson DD. Structural properties and relative stability of (meta)stable ordered, partially ordered, and disordered Al-Li alloy phases. Phys Rev B. 2012;85:144202. Abstract

Wang LL, Tan TL, Johnson DD. Nanoalloy composition-temperature phase diagram for catalyst design: Case study of Ag-Au. Phys Rev B. 2012;86:035438. Abstract