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materials informatics

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36 results in Keywords: materials informatics

Chemistry

Working Paper

Optimizing Fractional Compositions To Achieve Extraordinary Properties

Andrew Falkowski, Steven Kauwe, Taylor Sparks

Version 1 posted 28 May 2021

566

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Chemistry

Working Paper

DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions

Sterling Baird, Tran Diep, Taylor Sparks

Version 3 posted 27 October 2021

754

Downloads

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

4,316

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Chemistry

Working Paper

Modeling ionic conductivity and activation energy in garnet-structured solid electrolytes: the role of composition, grain boundaries and processing

Natalia Kireeva, Aslan Yu. Tsivadze, Vladislav S. Pervov

Version 1 posted 16 August 2022

410

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Chemistry

Working Paper

Molecular screening for solid–solid phase transition by machine learning

Daisuke Takagi, Kazuki Ishizaki, Toru Asahi, Takuya Taniguchi

Version 2 posted 19 October 2022

310

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Citations

Chemistry

Working Paper

Ultrafast Realization of Ionic Liquids with Excellent CO2 Absorption: A trinity study of machine learning, synthesis, and precision measurement

Nahoko Kuroki, Yuki Suzuki, Daisuke Kodama, Firoz Alam Chowdhury, Hidetaka Yamada, Hirotoshi Mori

Version 1 posted 24 June 2022

497

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Citations

Chemistry

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

725

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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

908

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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

1,488

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Chemistry

Working Paper

Machine learning predictions of low thermal conductivity: comparing TaVO5 and GdTaO4

Travis Allen, Jake Graser, Ramsey Issa, Taylor Sparks

Version 1 posted 15 March 2023

341

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36 results in materials informatics in Keywords: materials informatics

Optimizing Fractional Compositions To Achieve Extraordinary Properties

DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions

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

Modeling ionic conductivity and activation energy in garnet-structured solid electrolytes: the role of composition, grain boundaries and processing

Molecular screening for solid–solid phase transition by machine learning

Ultrafast Realization of Ionic Liquids with Excellent CO2 Absorption: A trinity study of machine learning, synthesis, and precision measurement

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

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

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

Machine learning predictions of low thermal conductivity: comparing TaVO5 and GdTaO4

36 results in Keywords: materials informatics