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Main Authors: Wang, Yanzhen, Jiang, Yiyang, Golovanova, Diana, Das, Kamal, Bae, Hyeonhu, Zhao, Yufei, Le, Huu-Thong, Chatterjee, Abhinava, Liu, Yunzhe, Liu, Chao-Xing, da Jornada, Felipe H., Yan, Binghai, Qi, Xiao-Liang
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2512.19753
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author Wang, Yanzhen
Jiang, Yiyang
Golovanova, Diana
Das, Kamal
Bae, Hyeonhu
Zhao, Yufei
Le, Huu-Thong
Chatterjee, Abhinava
Liu, Yunzhe
Liu, Chao-Xing
da Jornada, Felipe H.
Yan, Binghai
Qi, Xiao-Liang
author_facet Wang, Yanzhen
Jiang, Yiyang
Golovanova, Diana
Das, Kamal
Bae, Hyeonhu
Zhao, Yufei
Le, Huu-Thong
Chatterjee, Abhinava
Liu, Yunzhe
Liu, Chao-Xing
da Jornada, Felipe H.
Yan, Binghai
Qi, Xiao-Liang
contents We introduce QMBench, a comprehensive benchmark designed to evaluate the capability of large language model agents in quantum materials research. This specialized benchmark assesses the model's ability to apply condensed matter physics knowledge and computational techniques such as density functional theory to solve research problems in quantum materials science. QMBench encompasses different domains of the quantum material research, including structural properties, electronic properties, thermodynamic and other properties, symmetry principle and computational methodologies. By providing a standardized evaluation framework, QMBench aims to accelerate the development of an AI scientist capable of making creative contributions to quantum materials research. We expect QMBench to be developed and constantly improved by the research community.
format Preprint
id arxiv_https___arxiv_org_abs_2512_19753
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle QMBench: A Research Level Benchmark for Quantum Materials Research
Wang, Yanzhen
Jiang, Yiyang
Golovanova, Diana
Das, Kamal
Bae, Hyeonhu
Zhao, Yufei
Le, Huu-Thong
Chatterjee, Abhinava
Liu, Yunzhe
Liu, Chao-Xing
da Jornada, Felipe H.
Yan, Binghai
Qi, Xiao-Liang
Materials Science
Artificial Intelligence
We introduce QMBench, a comprehensive benchmark designed to evaluate the capability of large language model agents in quantum materials research. This specialized benchmark assesses the model's ability to apply condensed matter physics knowledge and computational techniques such as density functional theory to solve research problems in quantum materials science. QMBench encompasses different domains of the quantum material research, including structural properties, electronic properties, thermodynamic and other properties, symmetry principle and computational methodologies. By providing a standardized evaluation framework, QMBench aims to accelerate the development of an AI scientist capable of making creative contributions to quantum materials research. We expect QMBench to be developed and constantly improved by the research community.
title QMBench: A Research Level Benchmark for Quantum Materials Research
topic Materials Science
Artificial Intelligence
url https://arxiv.org/abs/2512.19753