1.7k citations · 1.7k across the 1 of their papers we have counts for
2 papers
cond-mat.stat-mech2002★ 1.7k cited
The Alloy Theoretic Automated Toolkit: A User Guide
A. van de Walle, M. Asta, G. Ceder
Although the formalism that allows the calculation of alloy thermodynamic properties from first-principles has been known for decades, its practical implementation has so far remai…
cond-mat.stat-mech2002
Automating First-Principles Phase Diagram Calculations
A. van de Walle, G. Ceder
Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a ``virtual laboratory'', where materials c…