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Assessing the performance of the Tran–Blaha modified Becke–Johnson exchange potential for optical constants of semiconductors in the ultraviolet–visible light region

Journal of applied physics, 2018-01, Vol.123 (1)

2018

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Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo

The Journal of chemical physics, 2022-01, Vol.156 (3), p.034101-034101

2022

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General Correlated Geminal Ansatz for Electronic Structure Calculations: Exploiting Pfaffians in Place of Determinants

Journal of chemical theory and computation, 2020-10, Vol.16 (10), p.6114-6131

2020

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Valence Band Engineering of Layered Bismuth Oxyhalides toward Stable Visible-Light Water Splitting: Madelung Site Potential Analysis

Journal of the American Chemical Society, 2017-12, Vol.139 (51), p.18725-18731

2017

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High-Throughput Evaluation of Discharge Profiles of Nickel Substitution in LiNiO2 by Ab Initio Calculations

Journal of physical chemistry. C, 2021-07, Vol.125 (27), p.14517-14524

2021

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Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons

Journal of chemical theory and computation, 2024-06, Vol.20 (11), p.4591-4604

2024

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TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204121-204121

2020

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High-pressure hydrogen by machine learning and quantum Monte Carlo

Physical review. B, 2022-07, Vol.106 (4), Article L041105

2022

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Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials

ACS applied materials & interfaces, 2022-05, Vol.14 (20), p.23355-23363

2022

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Shry: Application of Canonical Augmentation to the Atomic Substitution Problem

Journal of chemical information and modeling, 2022-06, Vol.62 (12), p.2909-2915

2022

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Ab initio molecular dynamics simulation of structural and elastic properties of SiO2–P2O5–Al2O3–Na2O glass

Journal of the American Ceramic Society, 2022-11, Vol.105 (11), p.6604-6615

2022

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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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A quantum annealing approach to ionic diffusion in solids

Scientific reports, 2021-03, Vol.11 (1), p.7261-7261, Article 7261

2021

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Ab-initio-based interface modeling and statistical analysis for estimate of the water contact angle on a metallic Cu(111) surface

Surfaces and interfaces, 2022-11, Vol.34, p.102342, Article 102342

2022

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Diffusion Monte Carlo evaluation of disiloxane linearisation barrier

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (6), p.3761-3769

2022

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Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations

Physical review. B, 2021-03, Vol.103 (12), Article L121110

2021

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GaN bandgap bias caused by semi-core treatment in pseudopotentials analyzed by the diffusion Monte Carlo method

AIP advances, 2021-02, Vol.11 (2), p.025225-025225-7

2021

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Topological Data Analysis for Revealing the Structural Origin of Density Anomalies in Silica Glass

The journal of physical chemistry. B, 2023-04, Vol.127 (14), p.3302-3311

2023

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Feature Space of XRD Patterns Constructed by an Autoencoder

Advanced theory and simulations, 2023-02, Vol.6 (2), p.n/a

2023

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The Systematic Study on the Stability and Superconductivity of Y‐Mg‐H Compounds under High Pressure

Advanced theory and simulations, 2022-03, Vol.5 (3), p.n/a

2022

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The Rey–Osterrieth Complex Figure as a measure of executive function in childhood

Brain & development (Tokyo. 1979), 2005-12, Vol.27 (8), p.564-569

2005

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Are pervasive developmental disorders and attention-deficit/hyperactivity disorder distinct disorders?

Brain & development (Tokyo. 1979), 2006-07, Vol.28 (6), p.371-374

2006

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Incidence and factor analysis for the heat-related illness on the Tokyo 2020 Olympic and Paralympic Games

BMJ Open Sport & Exercise Medicine, 2023-04, Vol.9 (2), p.e001467-e001467

2023

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Injuries and illness of athletes at the Tokyo 2020 Olympic and Paralympic summer games visiting outside facilities

Sports medicine and health science, 2024-03, Vol.6 (1), p.48-53

2024

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Executive function in children with pervasive developmental disorder and attention-deficit/hyperactivity disorder assessed by the Keio version of the Wisconsin card sorting test

Brain & development (Tokyo. 1979), 2012-05, Vol.34 (5), p.354-359

2012

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Assessing the performance of the Tran–Blaha modified Becke–Johnson exchange potential for optical constants of semiconductors in the ultraviolet–visible light region

Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo

General Correlated Geminal Ansatz for Electronic Structure Calculations: Exploiting Pfaffians in Place of Determinants

Valence Band Engineering of Layered Bismuth Oxyhalides toward Stable Visible-Light Water Splitting: Madelung Site Potential Analysis

High-Throughput Evaluation of Discharge Profiles of Nickel Substitution in LiNiO2 by Ab Initio Calculations

Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

High-pressure hydrogen by machine learning and quantum Monte Carlo

Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials

Shry: Application of Canonical Augmentation to the Atomic Substitution Problem

Ab initio molecular dynamics simulation of structural and elastic properties of SiO2–P2O5–Al2O3–Na2O glass

Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs

A quantum annealing approach to ionic diffusion in solids

Ab-initio-based interface modeling and statistical analysis for estimate of the water contact angle on a metallic Cu(111) surface

Diffusion Monte Carlo evaluation of disiloxane linearisation barrier

Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations

GaN bandgap bias caused by semi-core treatment in pseudopotentials analyzed by the diffusion Monte Carlo method

Topological Data Analysis for Revealing the Structural Origin of Density Anomalies in Silica Glass

Feature Space of XRD Patterns Constructed by an Autoencoder

The Systematic Study on the Stability and Superconductivity of Y‐Mg‐H Compounds under High Pressure

The Rey–Osterrieth Complex Figure as a measure of executive function in childhood

Are pervasive developmental disorders and attention-deficit/hyperactivity disorder distinct disorders?

Incidence and factor analysis for the heat-related illness on the Tokyo 2020 Olympic and Paralympic Games

Injuries and illness of athletes at the Tokyo 2020 Olympic and Paralympic summer games visiting outside facilities

Executive function in children with pervasive developmental disorder and attention-deficit/hyperactivity disorder assessed by the Keio version of the Wisconsin card sorting test

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