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6 results in Keywords: large language model

Materials Chemistry

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

1,249

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1

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Theoretical and Computational Chemistry

Large Language Models Open New Way of AI-Assisted Molecule Design for Chemists

Shoichi Ishida, Tomohiro Sato, Teruki Honma, Kei Terayama

Version 1 posted 22 April 2024

383

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Data-driven analysis of text-mined seed-mediated growth AuNP syntheses

Sanghoon Lee, Kevin Cruse, Samuel P. Gleason, A. Paul Alivisatos, Gerbrand Ceder, Anubhav Jain

Version 1 posted 13 June 2024

279

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Theoretical and Computational Chemistry

Knowledge-informed generation of organic structure-directing agents for zeolites using ChatGPT towards human-machine collaborative molecular design

Shusuke Ito, Koki Muraoka, Akira Nakayama

Version 4 posted 09 April 2024

622

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Polymer Science

On-Demand Reverse Design of Polymers with PolyTAO

Haoke Qiu, Zhao-Yan Sun

Version 2 posted 06 June 2024

372

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Materials Science

Post-Pretraining Large Language Model Enabled Reverse Design of MOFs for Hydrogen Storage

Zhimeng Liu, Yuqiao Su, Yujie Guo, Jing Lin, Shulin Wang, Zeyang Song, Zuoshuai Xi, Hongyi Gao, Lei Shi, Ge Wang

Version 1 posted 21 March 2024

230

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