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Molecular cluster analysis using local order parameters selected by machine learning

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.658-672

Takahashi, Kazuaki Z

2022

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Mapping positron annihilation lifetime spectroscopy data of a polymer to classical molecular dynamics simulations without shifting the glass transition temperature

The Journal of chemical physics, 2023-08, Vol.159 (8)

Takahashi, Kazuaki Z.

2023

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Correction: Molecular cluster analysis using local order parameters selected by machine learning

Physical chemistry chemical physics : PCCP, 2023-01, Vol.25 (3), p.2641-2642

Takahashi, Kazuaki Z

2023

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Local Order Parameters Classifying Water Networks of Ice and Cyclopropane Clathrate Hydrates

Crystal growth & design, 2023-07, Vol.23 (7), p.4815-4824

2023

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Mining of Effective Local Order Parameters to Classify Ice Polymorphs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-11, Vol.125 (43), p.9518-9526

2021

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Multistep nucleation of anisotropic molecules

Nature communications, 2021-09, Vol.12 (1), p.5278-5278, Article 5278

2021

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Effect of gut microflora on nutritional availability of selenium

Food chemistry, 2020-07, Vol.319, p.126537-126537, Article 126537

2020

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Searching for local order parameters to classify water structures at triple points

Journal of computational chemistry, 2021-09, Vol.42 (24), p.1720-1727

2021

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Searching local order parameters to classify water structures of ice Ih, Ic, and liquid

The Journal of chemical physics, 2021-04, Vol.154 (16), p.164505-164505

2021

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Mining of effective local order parameters for classifying crystal structures: A machine learning study

The Journal of chemical physics, 2020-06, Vol.152 (21), p.214501-214501

2020

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Targeting the Vulnerability of Glutathione Metabolism in ARID1A-Deficient Cancers

Cancer cell, 2019-02, Vol.35 (2), p.177-190.e8

2019

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Molecular Dynamics Simulations for Resolving Scaling Laws of Polyethylene Melts

Polymers, 2017-01, Vol.9 (1), p.24-24

2017

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Bioavailability Comparison of Nine Bioselenocompounds In Vitro and In Vivo

International journal of molecular sciences, 2017-02, Vol.18 (3), p.506-506

2017

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Trade-off effect between the stress and strain range in the soft elasticity of liquid crystalline elastomers

Polymer journal, 2022-08, Vol.54 (8), p.1017-1027

2022

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Molecular architecture dependence of mesogen rotation during uniaxial elongation of liquid crystal elastomers

Polymer (Guilford), 2021-08, Vol.229, p.123970, Article 123970

2021

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Identification of the biliary selenium metabolite and the biological significance of selenium enterohepatic circulation

Metallomics, 2020-02, Vol.12 (2), p.241

2020

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Machine learning-aided analysis for complex local structure of liquid crystal polymers

Scientific reports, 2019-11, Vol.9 (1), p.16370-12, Article 16370

2019

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Publisher Correction: Multistep nucleation of anisotropic molecules

Nature communications, 2021-09, Vol.12 (1), p.5587-5587, Article 5587

2021

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Comparison of Nutritional Availability of Biogenic Selenium Nanoparticles and Chemically Synthesized Selenium Nanoparticles

Biological trace element research, 2023-10, Vol.201 (10), p.4861-4869

2023

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Regression analysis for predicting the elasticity of liquid crystal elastomers

Scientific reports, 2022-11, Vol.12 (1), p.19788-19788, Article 19788

2022

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Design of a reaction field using a linear-combination-based isotropic periodic sum method

Journal of computational chemistry, 2014-04, Vol.35 (11), p.865-875

Takahashi, Kazuaki Z.

2014

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Critical test of isotropic periodic sum techniques with group-based cut-off schemes

Scientific reports, 2018-03, Vol.8 (1), p.4185-9, Article 4185

2018

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Rethinking of treatment strategies and clinical management in ovarian clear cell carcinoma

International journal of clinical oncology, 2020-03, Vol.25 (3), p.425-431

2020

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Development of Coarse-Grained Liquid-Crystal Polymer Model with Efficient Electrostatic Interaction: Toward Molecular Dynamics Simulations of Electroactive Materials

Materials, 2018-01, Vol.11 (1), p.83

2018

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Onset of static and dynamic universality among molecular models of polymers

Scientific reports, 2017-09, Vol.7 (1), p.12379-7, Article 12379

2017

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Molecular cluster analysis using local order parameters selected by machine learning

Mapping positron annihilation lifetime spectroscopy data of a polymer to classical molecular dynamics simulations without shifting the glass transition temperature

Correction: Molecular cluster analysis using local order parameters selected by machine learning

Local Order Parameters Classifying Water Networks of Ice and Cyclopropane Clathrate Hydrates

Mining of Effective Local Order Parameters to Classify Ice Polymorphs

Multistep nucleation of anisotropic molecules

Effect of gut microflora on nutritional availability of selenium

Searching for local order parameters to classify water structures at triple points

Searching local order parameters to classify water structures of ice Ih, Ic, and liquid

Mining of effective local order parameters for classifying crystal structures: A machine learning study

Targeting the Vulnerability of Glutathione Metabolism in ARID1A-Deficient Cancers

Molecular Dynamics Simulations for Resolving Scaling Laws of Polyethylene Melts

Bioavailability Comparison of Nine Bioselenocompounds In Vitro and In Vivo

Trade-off effect between the stress and strain range in the soft elasticity of liquid crystalline elastomers

Molecular architecture dependence of mesogen rotation during uniaxial elongation of liquid crystal elastomers

Identification of the biliary selenium metabolite and the biological significance of selenium enterohepatic circulation

Machine learning-aided analysis for complex local structure of liquid crystal polymers

Publisher Correction: Multistep nucleation of anisotropic molecules

Comparison of Nutritional Availability of Biogenic Selenium Nanoparticles and Chemically Synthesized Selenium Nanoparticles

Regression analysis for predicting the elasticity of liquid crystal elastomers

Design of a reaction field using a linear-combination-based isotropic periodic sum method

Critical test of isotropic periodic sum techniques with group-based cut-off schemes

Rethinking of treatment strategies and clinical management in ovarian clear cell carcinoma

Development of Coarse-Grained Liquid-Crystal Polymer Model with Efficient Electrostatic Interaction: Toward Molecular Dynamics Simulations of Electroactive Materials

Onset of static and dynamic universality among molecular models of polymers

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