Fernando A Reboredo Senior Research Staff Contact 865.241.4325 | reboredofa@ornl.gov All Publications Enhancing MnBi2Te4 Stability by Doping Predictions of delafossite-hosted honeycomb and kagome phases Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state... Procedures for Assessing the Stability of Proposed Topological Materials 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 Non-volatile electric control of magnetic and topological properties of MnBi2Te4 thin films... Thermodynamic Understanding of Impurity Phase Segregation in a PdCrO 2 /CuCrO 2 Heterostructure... Phase Transition Dynamics in a Complex Oxide Heterostructure Correlative Nanoscale Imaging of Strained hBN Spin Defects Anionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory Estimation of biquadratic and bicubic Heisenberg effective couplings from multiorbital Hubbard models Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs... High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method Candidate structure for the H2-PRE phase of solid hydrogen CrI3 revisited with a many-body ab initio theoretical approach First-principles calculations of quantum transitions at local centers Hybridizing pseudo-Hamiltonians and non-local pseudopotentials in diffusion Monte Carlo QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion... Crystal Synthesis and Frustrated Magnetism in Triangular Lattice Cs RE Se 2 (RE = La–Lu): Quantum Spin Liquid Candidates CsCeSe 2 and CsYbSe 2 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 Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo Pagination Current page 1 Page 2 Page 3 Next page ›› Last page Last » Key Links ORCID Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group
