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Cohesion energetics of carbon allotropes: quantum Monte Carlo study

The Journal of chemical physics, 2014-03, Vol.140 (11), p.114702-114702

2014

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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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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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Computing the energy of a water molecule using multideterminants: A simple, efficient algorithm

The Journal of chemical physics, 2011-12, Vol.135 (24), p.244105-244105-9

2011

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Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.3417-3422

2014

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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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Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: a path for the optimization of low-energy many-body bases

The Journal of chemical physics, 2014-02, Vol.140 (7), p.074103-074103

2014

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Momentum distribution and renormalization factor in sodium and the electron gas

Physical review letters, 2010-08, Vol.105 (8), p.086403-086403, Article 086403

2010

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Accelerating Quantum Monte Carlo Simulations of Real Materials on GPU Clusters

Computing in science & engineering, 2012-01, Vol.14 (1), p.40-51

2012

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The transition to the metallic state in low density hydrogen

The Journal of chemical physics, 2015-11, Vol.143 (19), p.194703-194703

2015

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Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water

Journal of chemical theory and computation, 2014-06, Vol.10 (6), p.2355-2362

2014

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Nature of Interlayer Binding and Stacking of sp–sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

Journal of chemical theory and computation, 2017-11, Vol.13 (11), p.5639-5646

2017

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Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations

Physical review letters, 2010-05, Vol.104 (18), p.185702-185702, Article 185702

2010

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Electronic structures of [110]-faceted self-assembled pyramidal InAs/GaAs quantum dots

Physical review. B, Condensed matter, 1999-02, Vol.59 (8), p.5678-5687

1999

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Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study

The Journal of chemical physics, 2008-10, Vol.129 (16), p.164711-164711

2008

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QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

Journal of physics. Condensed matter, 2018-05, Vol.30 (19), p.195901-195901

2018

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Stability of Si-interstitial defects: from point to extended defects

Physical review letters, 2000-01, Vol.84 (3), p.503-506

2000

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Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases

The Journal of chemical physics, 2014-02, Vol.140 (7)

2014

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OpenMP in VASP: Threading and SIMD

International journal of quantum chemistry, 2019-06, Vol.119 (12), p.n/a

2019

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Multideterminant Wave Functions in Quantum Monte Carlo

Journal of chemical theory and computation, 2012-07, Vol.8 (7), p.2181-2188

2012

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Many-body levels of optically excited and multiply charged InAs nanocrystals modeled by semiempirical tight binding

Physical review. B, Condensed matter, 2002-12, Vol.66 (23), Article 235307

2002

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The transition to the metallic state in low density hydrogen

The Journal of chemical physics, 2015-11, Vol.143 (19)

2015

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OpenMP in VASP: Threading and SIMD

International journal of quantum chemistry, 2018-12, Vol.119 (12)

2018

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Nature of Interlayer Binding and Stacking of sp-sp 2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

Journal of chemical theory and computation, 2017-11, Vol.13 (11), p.5639-5646

2017

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Nature of Interlayer Binding and Stacking of sp–sp^sup 2^ Hybridized Carbon Layers: A Quantum Monte Carlo Study

Journal of chemical theory and computation, 2017-11, Vol.13 (11), p.5639

2017

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Cohesion energetics of carbon allotropes: quantum Monte Carlo study

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

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

Computing the energy of a water molecule using multideterminants: A simple, efficient algorithm

Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions

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

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: a path for the optimization of low-energy many-body bases

Momentum distribution and renormalization factor in sodium and the electron gas

Accelerating Quantum Monte Carlo Simulations of Real Materials on GPU Clusters

The transition to the metallic state in low density hydrogen

Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water

Nature of Interlayer Binding and Stacking of sp–sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations

Electronic structures of [110]-faceted self-assembled pyramidal InAs/GaAs quantum dots

Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

Stability of Si-interstitial defects: from point to extended defects

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases

OpenMP in VASP: Threading and SIMD

Multideterminant Wave Functions in Quantum Monte Carlo

Many-body levels of optically excited and multiply charged InAs nanocrystals modeled by semiempirical tight binding

The transition to the metallic state in low density hydrogen

OpenMP in VASP: Threading and SIMD

Nature of Interlayer Binding and Stacking of sp-sp 2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

Nature of Interlayer Binding and Stacking of sp–sp^sup 2^ Hybridized Carbon Layers: A Quantum Monte Carlo Study

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