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Strain Control of Oxygen Vacancies in Epitaxial Strontium Cobaltite Films

Advanced functional materials, 2016-03, Vol.26 (10), p.1564-1570

2016

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Hybridizing pseudo-Hamiltonians and non-local pseudopotentials in diffusion Monte Carlo

The Journal of chemical physics, 2020-09, Vol.153 (10), p.104111-104111

2020

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Estimation of biquadratic and bicubic Heisenberg effective couplings from multiorbital Hubbard models

New journal of physics, 2022-07, Vol.24 (7), p.73014

2022

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Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

Journal of chemical theory and computation, 2014-12, Vol.10 (12), p.5318-5323

2014

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Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs

Journal of physical chemistry. C, 2022-04, Vol.126 (13), p.6000-6007

2022

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Oxygen diffusion pathways in brownmillerite SrCoO2.5: influence of structure and chemical potential

The Journal of chemical physics, 2014-08, Vol.141 (8), p.084710-084710

2014

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Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn4+-Doped Phosphors

The journal of physical chemistry letters, 2019-01, Vol.10 (1), p.67-74

2019

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Magnetic and magnetocaloric properties of iron substituted holmium chromite and dysprosium chromite

RSC advances, 2016-01, Vol.6 (12), p.9475-9483

2016

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Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

The Journal of chemical physics, 2015-10, Vol.143 (16), p.164710-164710

2015

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Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo

The Journal of chemical physics, 2015-04, Vol.142 (16), p.164705-164705

2015

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High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method

Journal of chemical theory and computation, 2022-02, Vol.18 (2), p.828-839

2022

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Theory of Alkyl-Terminated Silicon Quantum Dots

The journal of physical chemistry. B, 2005-01, Vol.109 (3), p.1072-1078

2005

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Successes and failures of Hubbard-corrected density functional theory: the case of Mg doped LiCoO2

The Journal of chemical physics, 2014-10, Vol.141 (16), p.164706-164706

2014

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Thermodynamic Understanding of Impurity Phase Segregation in a PdCrO2/CuCrO2 Heterostructure

Advanced Physics Research, 2023-10, Vol.2 (10), p.n/a

2023

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Computational Engineering of the Stability and Optical Gaps of SiC Quantum Dots

Nano letters, 2004-05, Vol.4 (5), p.801-804

2004

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Predictions of delafossite-hosted honeycomb and kagome phases

Physical chemistry chemical physics : PCCP, 2024-03, Vol.26 (1), p.8327-8333

2024

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QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

The Journal of chemical physics, 2020-05, Vol.152 (17), p.174105-174105

2020

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Efficacy of Zinc Fortified and Fermented Wheat Flour (EZAFFAW): A randomized controlled trial protocol

PloS one, 2024-06, Vol.19 (6), p.e0304462

2024

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Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method

The Journal of chemical physics, 2023-10, Vol.159 (16)

2023

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Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo

The Journal of chemical physics, 2017-07, Vol.147 (2), p.024102-024102

2017

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Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state

The Journal of chemical physics, 2023-09, Vol.159 (11)

2023

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Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

The Journal of chemical physics, 2018-01, Vol.148 (4), p.044110-044110

2018

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Phase Transition Dynamics in a Complex Oxide Heterostructure

Physical review letters, 2022-12, Vol.129 (23), p.235701-235701, Article 235701

2022

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Electron Confinement and Magnetism of (LaTiO3)1/(SrTiO3)5 Heterostructure: A Diffusion Quantum Monte Carlo Study

Journal of chemical theory and computation, 2020-01, Vol.16 (1), p.643-650

2020

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Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3

The Journal of chemical physics, 2017-07, Vol.147 (3), p.034701-034701

2017

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Strain Control of Oxygen Vacancies in Epitaxial Strontium Cobaltite Films

Hybridizing pseudo-Hamiltonians and non-local pseudopotentials in diffusion Monte Carlo

Estimation of biquadratic and bicubic Heisenberg effective couplings from multiorbital Hubbard models

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs

Oxygen diffusion pathways in brownmillerite SrCoO2.5: influence of structure and chemical potential

Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn4+-Doped Phosphors

Magnetic and magnetocaloric properties of iron substituted holmium chromite and dysprosium chromite

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo

High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method

Theory of Alkyl-Terminated Silicon Quantum Dots

Successes and failures of Hubbard-corrected density functional theory: the case of Mg doped LiCoO2

Thermodynamic Understanding of Impurity Phase Segregation in a PdCrO2/CuCrO2 Heterostructure

Computational Engineering of the Stability and Optical Gaps of SiC Quantum Dots

Predictions of delafossite-hosted honeycomb and kagome phases

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

Efficacy of Zinc Fortified and Fermented Wheat Flour (EZAFFAW): A randomized controlled trial protocol

Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method

Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo

Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state

Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

Phase Transition Dynamics in a Complex Oxide Heterostructure

Electron Confinement and Magnetism of (LaTiO3)1/(SrTiO3)5 Heterostructure: A Diffusion Quantum Monte Carlo Study

Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3

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