Kayahan Saritas Research Staff Contact SARITASK@ORNL.GOV All Publications Quantum Monte Carlo and Density Functional Theory Study of Strain and Magnetism in 2D 1T-VSe2 with Charge Density Wave States... Enhancing MnBi2Te4 Stability by Doping JARVIS-Leaderboard: a large scale benchmark of materials design methods Predictions of delafossite-hosted honeycomb and kagome phases A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe 2 Existence of La-site antisite defects in LaMO3 (M=Mn, Fe, and Co) predicted with many-body diffusion quantum Monte Carlo Phase Transition Dynamics in a Complex Oxide Heterostructure Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn4+-Doped Phosphors Relative energies and electronic structures of CoO polymorphs through ab initio diffusion quantum Monte Carlo Diffusion Monte Carlo: A pathway towards an accurate theoretical description of manganese oxides Key Links Google Scholar ORCID Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group
