QMBench: A Research Level Benchmark for Quantum Materials Research
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Abstract (arXiv)
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.
Key facts. Cited by 3 papers in the map (data through 14 Oct 2026). Builds on 14 of its 30 references that are in the map. First posted on arXiv 19 Dec 2025.
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14 of 30 references.
References · 14
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- 2024MMLU-Pro: A More Robust and Challenging Multi-Task Language Understanding Benchmarkcited by 1,848
- 2024The AI Scientist: Towards Fully Automated Open-Ended Scientific Discoverycited by 1,071
- 2025AlphaEvolve: A coding agent for scientific and algorithmic discoverycited by 867
- 2025Humanity's Last Examcited by 491
- 2025Accelerating scientific discovery with Co-Scientistcited by 401
- 2024SciCode: A Research Coding Benchmark Curated by Scientistscited by 178
- 2025Robin: A multi-agent system for automating scientific discoverycited by 62
- 2024ORGANA: A Robotic Assistant for Automated Chemistry Experimentation and Characterizationcited by 61
- 2025SciMaster: Towards General-Purpose Scientific AI Agents, Part I. X-Master as Foundation: Can We Lead on Humanity's Last Exam?cited by 47
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Citing papers per year: 2026: 3.
3 papers.
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- 2026LLM-Guided Test-Time Discovery of Quantum-Chemical Approximation Algorithms
- 2025AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline Materials
- 2026MatMind: A Structure-Activity Knowledge-Driven Generative Foundation Model for Materials Science