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 Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group
