Tomohiro Ichiba Contact ichiba@ornl.gov | 865.258.6629 All Publications Predictions of delafossite-hosted honeycomb and kagome phases Existence of La-site antisite defects in LaMO3(M=Mn, Fe, and Co) predicted with many-body diffusion quantum Monte Carlo Existence of La-site antisite defects in LaMO3 (M=Mn, Fe, and Co) predicted with many-body diffusion quantum Monte Carlo Thermodynamic Understanding of Impurity Phase Segregation in a PdCrO 2 /CuCrO 2 Heterostructure... Anionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory... Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs... Diffusion Monte Carlo evaluation of disiloxane linearisation barrier... Candidate structure for the H2-PRE phase of solid hydrogen CrI3 revisited with a many-body ab initio theoretical approach... Ti interstitial flows giving rutile TiO2 reoxidation process enhancement in (001) surface... Key Links ORCID