2019•Bulletin of the American Physical SocietyRequires access

Structural and electronic properties of doped NiO from density functional theory and quantum Monte Carlo simulations

Olle Heinonen, Hyeondeok Shin, Jaron T. Krogel, Panchapakesan Ganesh, Friederike Wrobel, Anand Bhattacharya, Paul R. C. Kent

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Key concepts: Density functional theory, Monte Carlo method, Non-blocking I/O, Quantum Monte Carlo, Statistical physics, Doping, Materials science, Quantum

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Structural and electronic properties of doped NiO from density functional theory and quantum Monte Carlo simulations — Research Paper | ScholarLens