Jaron T Krogel Research Staff Contact krogeljt@ornl.gov | 865.576.6204 All Publications Pseudopotentials for quantum Monte Carlo studies of transition metal oxides... Nexus: a modular workflow management system for quantum simulation codes... Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO... Many-body ab-initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO... How large are nonadiabatic effects in atomic and diatomic systems?... Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3... Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte Carlo... Ab initio quantum Monte Carlo calculations of spin superexchange in cuprates: the benchmarking case of Ca2CuO3... Energy density matrix formalism for interacting quantum systems: a quantum Monte Carlo study... Performance Impact of I/O on QMCPack Simulations at the Petascale and Beyond... Pagination First page « First Previous page ‹‹ Page 1 Page 2 Current page 3 Key Links ORCID Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group