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6 results in Keywords: Prompt engineering

Theoretical and Computational Chemistry

Developing Large Language Models for Quantum Chemistry Simulation Input Generation

Pieter Floris Jacobs, Robert Pollice

Version 1 posted 02 September 2024

309

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Materials Science

Ontology-conformal recognition of materials entities using language models

Rachana Niranjan Murthy, Sai Teja Potu, Akhil Thomas, Lokesh Mishra, Natalie Prange, Ali Riza Durmaz

Version 1 posted 04 September 2024

206

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Organic Chemistry

Automatic extraction of FAIR data from publications using LLM

Luc Patiny, Guillaume Godin

Version 2 posted 04 December 2023

1,850

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3

Citations

Theoretical and Computational Chemistry

Assessment of chemistry knowledge in large language models that generate code

Andrew D. White, Glen M. Hocky, Heta A. Gandhi, Mehrad Ansari, Sam Cox, Geemi P. Wellawatte, Subarna Sasmal, Ziyue Yang, Kangxin Liu, Yuvraj Singh, Willmor J. Peña Ccoa

Version 2 posted 12 December 2022

3,749

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1

Citations

GPT-4-powered analysis and prediction of experiments through an effective chain-of-thought prompting strategy: a case study of selective catalytic reduction of NOx with NH3 by metal-oxide composites

Muyu Lu, Fengyu Gao, Xiaolong Tang, Linjiang Chen

Version 1 posted 17 November 2023

407

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Theoretical and Computational Chemistry

Knowledge Discovery from Porous Organic Cages Literature Using a Large Language Model

Yaoyi Su, Siyuan Yang, Yuanhan Liu, Aiting Kai, Linjiang Chen, Ming Liu

Version 1 posted 23 October 2024

140

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