Physics – Condensed Matter – Materials Science
Scientist
Physics
Condensed Matter
Materials Science
Scientist
Atomistic Simulation Group, Physics Department, Queen's University, Belfast UK
A Stabilization Mechanism of Zirconia Based on Oxygen Vacancies Only
Electron localization in pure and defective ceria by a unified LDA+U approach
Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
Relative energetics and structural properties of zirconia using a self-consistent tight-binding model
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