Jaron T Krogel Research Staff Contact krogeljt@ornl.gov | 865.576.6204 All Publications JARVIS-Leaderboard: a large scale benchmark of materials design methods Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo Predictions of delafossite-hosted honeycomb and kagome phases Software engineering to sustain a high-performance computing scientific application: QMCPACK... DFT+U and quantum Monte Carlo study of electronic and optical properties of AgNiO2 and AgNi1−xCoxO2 delafossite Stacking Faults and Topological Properties in MnBi2Te4: Reconciling Gapped and Gapless States... 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 Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state Procedures for Assessing the Stability of Proposed Topological Materials Emergent Magnetism with Continuous Control in the Ultrahigh-Conductivity Layered Oxide PdCoO2... Existence of La-site antisite defects in LaMO3 (M=Mn, Fe, and Co) predicted with many-body diffusion quantum Monte Carlo 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 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... Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods... Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond... 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
