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Quantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers

Journal of chemical theory and computation, 2021-12, Vol.17 (12), p.7814-7821

2021

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Machine learning approaches for ELNES/XANES

Microscopy, 2020-04, Vol.69 (2), p.92-109

2020

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Radial Distribution Function from X-ray Absorption near Edge Structure with an Artificial Neural Network

Journal of the Physical Society of Japan, 2020-10, Vol.89 (10), p.103001

2020

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A lithium superionic conductor for millimeter-thick battery electrode

Science (American Association for the Advancement of Science), 2023-07, Vol.381 (6653), p.50-53

2023

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Searching the stable segregation configuration at the grain boundary by a Monte Carlo tree search

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241741-241741

2018

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Nanoscale Investigation of Local Thermal Expansion at SrTiO3 Grain Boundaries by Electron Energy Loss Spectroscopy

Nano letters, 2021-12, Vol.21 (24), p.10416-10422

2021

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Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy

Scientific reports, 2018-09, Vol.8 (1), p.13548-12, Article 13548

2018

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Effect of van der Waals interactions on the stability of SiC polytypes

Journal of applied physics, 2016-05, Vol.119 (17)

2016

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A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces

Computer physics communications, 2022-04, Vol.273, p.108260, Article 108260

2022

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Ceramic science of crystal defect cores

Journal of the Ceramic Society of Japan, 2022-08, Vol.130 (8), p.648-667, Article 22080

2022

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Bayesian optimization for efficient determination of metal oxide grain boundary structures

Physica. B, Condensed matter, 2018-03, Vol.532, p.24-28

2018

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COMBO: An efficient Bayesian optimization library for materials science

Materials discovery, 2016-06, Vol.4, p.18-21

2016

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Fabrication of thin TEM sample of ionic liquid for high-resolution ELNES measurements

Ultramicroscopy, 2017-07, Vol.178, p.81-87

2017

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Basics and applications of ELNES calculations

Journal of electron microscopy, 2017-10, Vol.66 (5), p.305-327

2017

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Lightweight and high-precision materials property prediction using pre-trained Graph Neural Networks and its application to a small dataset

Applied physics express, 2024-03, Vol.17 (3), p.37002

2024

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Automatic determination of the spectrum–structure relationship by tree structure-based unsupervised and supervised learning

Ultramicroscopy, 2022-03, Vol.233, p.113438-113438, Article 113438

2022

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Importance of Fermi energy for understanding the intermixing behavior at the LaAlO3/SrTiO3 heterointerface

Applied physics letters, 2014-11, Vol.105 (20)

2014

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Tensile strength of a transverse grain boundary in a single-walled carbon nanotube

Journal of the Ceramic Society of Japan, 2023-10, Vol.131 (10), p.621-627, Article 23062

2023

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A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination

Journal of the Ceramic Society of Japan, 2023-10, Vol.131 (10), p.738-745, Article 23019

2023

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Acceleration of stable interface structure searching using a kriging approach

Japanese Journal of Applied Physics, 2016-04, Vol.55 (4), p.45502

2016

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Transfer Learning to Accelerate Interface Structure Searches

Journal of the Physical Society of Japan, 2017-12, Vol.86 (12), p.123601

2017

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Robotic fabrication of high-quality lamellae for aberration-corrected transmission electron microscopy

Scientific reports, 2021-11, Vol.11 (1), p.21599-21599, Article 21599

2021

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Prediction of interface structures and energies via virtual screening

Science advances, 2016-11, Vol.2 (11), p.e1600746-e1600746

2016

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Revealing Spatial Distribution of Al-Coordinated Species in a Phase-Separated Aluminosilicate Glass by STEM-EELS

The journal of physical chemistry letters, 2020-11, Vol.11 (22), p.9637-9642

2020

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Accurate prediction of bonding properties by a machine learning–based model using isolated states before bonding

Applied physics express, 2021-08, Vol.14 (8), p.85503

2021

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Quantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers

Machine learning approaches for ELNES/XANES

Radial Distribution Function from X-ray Absorption near Edge Structure with an Artificial Neural Network

A lithium superionic conductor for millimeter-thick battery electrode

Searching the stable segregation configuration at the grain boundary by a Monte Carlo tree search

Nanoscale Investigation of Local Thermal Expansion at SrTiO3 Grain Boundaries by Electron Energy Loss Spectroscopy

Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy

Effect of van der Waals interactions on the stability of SiC polytypes

A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces

Ceramic science of crystal defect cores

Bayesian optimization for efficient determination of metal oxide grain boundary structures

COMBO: An efficient Bayesian optimization library for materials science

Fabrication of thin TEM sample of ionic liquid for high-resolution ELNES measurements

Basics and applications of ELNES calculations

Lightweight and high-precision materials property prediction using pre-trained Graph Neural Networks and its application to a small dataset

Automatic determination of the spectrum–structure relationship by tree structure-based unsupervised and supervised learning

Importance of Fermi energy for understanding the intermixing behavior at the LaAlO3/SrTiO3 heterointerface

Tensile strength of a transverse grain boundary in a single-walled carbon nanotube

A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination

Acceleration of stable interface structure searching using a kriging approach

Transfer Learning to Accelerate Interface Structure Searches

Robotic fabrication of high-quality lamellae for aberration-corrected transmission electron microscopy

Prediction of interface structures and energies via virtual screening

Revealing Spatial Distribution of Al-Coordinated Species in a Phase-Separated Aluminosilicate Glass by STEM-EELS

Accurate prediction of bonding properties by a machine learning–based model using isolated states before bonding

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