Jaron Krogel Research Staff Contact 865.576.6204 | KROGELJT@ORNL.GOV All Publications Quantitative estimation of localization errors of 3 d transition metal pseudopotentials in diffusion Monte Carlo Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo Phase Stability of TiO2 Polymorphs from Diffusion Quantum Monte Carlo... Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magneli phase... Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo 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 ‹â¶Ä¹ Page 1 Page 2 Current page 3 Key Links Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group
