Jaron T Krogel Research Staff Contact krogeljt@ornl.gov | 865.576.6204 All Publications Exploring interlayer coupling in the twisted bilayer PtTe2 Enhancing MnBi2Te4 Stability by Doping JARVIS-Leaderboard: a large scale benchmark of materials design methods Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo DFT+U and quantum Monte Carlo study of electronic and optical properties of AgNiO2 and AgNi1−xCoxO2 delafossite Predictions of delafossite-hosted honeycomb and kagome phases Software engineering to sustain a high-performance computing scientific application: QMCPACK... Stacking Faults and Topological Properties in MnBi2Te4: Reconciling Gapped and Gapless States... Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state Structural Stability of Graphene-Supported Pt Layers: Diffusion Monte Carlo and Density Functional Theory Calculations... The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6 Emergent Magnetism with Continuous Control in the Ultrahigh-Conductivity Layered Oxide PdCoO2... Procedures for Assessing the Stability of Proposed Topological Materials 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 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 Correlative Nanoscale Imaging of Strained hBN Spin Defects... Origin of metal-insulator transitions in correlated perovskite metals... Surrogate Hessian accelerated structural optimization for stochastic electronic structure theories... A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI3... High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method... CrI3 revisited with a many-body ab initio theoretical approach... Toward quantum Monte Carlo forces on heavier ions: Scaling properties... From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides... 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