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Theoretical and Computational Chemistry

Working Paper

Quantum circuit learning as a potential algorithm to predict experimental chemical properties

Kan Hatakeyama-Sato, Yasuhiko Igarashi, Takahiro Kashikawa, Koichi Kimura, Kenichi Oyaizu

Version 2 posted 24 August 2022

895

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1

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Materials Chemistry

Working Paper

Using GPT-4 in Parameter Selection of Materials Informatics: Improving Predictive Accuracy Amidst Data Scarcity and 'Ugly Duckling' Dilemma

Kan Hatakeyama-Sato, Seigo Watanabe, Naoki Yamane, Yasuhiko Igarashi, Kenichi Oyaizu

Version 1 posted 30 May 2023

1,147

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1

Citations

Materials Chemistry

Working Paper

Automated design of Li+-conducting polymer by quantum-inspired annealing

Kan Hatakeyama-Sato, Hiroki Adachi, Momoka Umeki, Takahiro Kashikawa, Koichi Kimura, Kenichi Oyaizu

Version 1 posted 15 April 2022

760

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Materials Chemistry

Working Paper

Efficient Exploration of Highly Conductive Pyrrolidinium-based Ionic Plastic Crystals Using Materials Informatics

Takuto Ootahara, Kan Hatakeyama-Sato, Morgan L. Thomas, Yuko Takeoka, Masahiro Rikukawa, Masahiro Yoshizawa-Fujita

Version 3 posted 13 May 2024

177

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Materials Science

Working Paper

Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database

Kan Hatakeyama-Sato, Momoka Umeki, Hiroki Adachi, Naoaki Kuwata, Gen Hasegawa, Kenichi Oyaizu

Version 1 posted 31 January 2022

602

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Polymer Science

Working Paper

Automated experiment and data generation by foundation models for synthesizing polyamic acid particles

Kan Hatakeyama-Sato, Hiroki Ishikawa, Shinya Takaishi, Yasuhiko Igarashi, Yuta Nabae, Teruaki Hayakawa

Version 1 posted 17 May 2024

25

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Theoretical and Computational Chemistry

Working Paper

Prompt engineering of GPT-4 for chemical research: what can/cannot be done?

Kan Hatakeyama-Sato, Naoki Yamane, Yasuhiko Igarashi, Yuta Nabae, Teruaki Hayakawa

Version 1 posted 05 June 2023

2,766

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6

Citations

Refine Search

7 results in Kan Hatakeyama-Sato in Authors: Kan Hatakeyama-Sato

Quantum circuit learning as a potential algorithm to predict experimental chemical properties

Using GPT-4 in Parameter Selection of Materials Informatics: Improving Predictive Accuracy Amidst Data Scarcity and 'Ugly Duckling' Dilemma

Automated design of Li+-conducting polymer by quantum-inspired annealing

Efficient Exploration of Highly Conductive Pyrrolidinium-based Ionic Plastic Crystals Using Materials Informatics

Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database

Automated experiment and data generation by foundation models for synthesizing polyamic acid particles

Prompt engineering of GPT-4 for chemical research: what can/cannot be done?

7 results in Authors: Kan Hatakeyama-Sato