AI Agents for Scientific Discovery

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  1. BioResearcher: Scenario-Guided Multi-Agent for Translational Medicine

    May 7, 2026Remigiusz Kinas, Joanna Krawczyk, Rafał Powalski +6Multi-Agent OrchestrationAI Agents for Scientific Discovery

  2. Experiment-as-Code Labs: A Declarative Stack for AI-Driven Scientific Discovery

    May 6, 2026Zhenning Yang, Yuhan Chen, Patrick Tser Jern Kon +5AI for ScienceAI Agents for Scientific Discovery

  3. An explainable hypothesis-driven approach to Drug-Induced Liver Injury with HADES

    May 4, 2026Maciej Wisniewski, Bartosz Topolski, Pawel Dabrowski-Tumanski +2Explainable Artificial IntelligenceAI Agents for Scientific Discovery

  4. Towards Multi-Agent Autonomous Reasoning in Hydrodynamics

    May 1, 2026Jinpai Zhao, Albert Cerrone, Joannes Westerink +1Multi-Agent OrchestrationAI Agents for Scientific Discovery

  5. D3-Gym: Constructing Real-World Verifiable Environments for Data-Driven Discovery

    Apr 30, 2026Hanane Nour Moussa, Yifei Li, Zhuoyang Li +7AI Agents for Scientific DiscoveryAI Agent Benchmarks

  6. A self-evolving agent for explainable diagnosis of DFT-experiment band-gap mismatch

    Apr 29, 2026Yue Li, Bijun TangAI Agents for Scientific DiscoveryMaterials Science

  7. Can Current Agents Close the Discovery-to-Application Gap? A Case Study in Minecraft

    Apr 27, 2026Zhou Ziheng, Huacong Tang, Jinyuan Zhang +9AI Agents for Scientific DiscoveryCircuit Discovery

  8. QED: An Open-Source Multi-Agent System for Generating Mathematical Proofs on Open Problems

    Apr 27, 2026Chenyang An, Qihao Ye, Minghao Pan +1AI Agents for Scientific DiscoveryAutomated Theorem Proving

  9. Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery

    Apr 26, 2026Mingze Li, Yu Rong, Songyou Li +16AI Agents for Scientific DiscoveryMaterials Property Prediction

  10. ClimAgent: LLM as Agents for Autonomous Open-ended Climate Science Analysis

    Apr 18, 2026Hao Wang, Jindong Han, Wei Fan +1AI Agents for Scientific DiscoveryClimate Science

  11. Stargazer: A Scalable Model-Fitting Benchmark Environment for AI Agents under Astrophysical Constraints

    Apr 17, 2026Xinge Liu, Terry Jingchen Zhang, Bernhard Schölkopf +2AI Agents for Scientific DiscoveryAI Agent Benchmarks

  12. The Agentification of Scientific Research: A Physicist's Perspective

    Apr 16, 2026Xiao-Liang QiAI for ScienceAI Agents for Scientific Discovery

  13. An AI Co-Data-Scientist for Prioritizing Candidate Biomarkers from Wearable Sensor Data

    Apr 16, 2026Yubin Kim, Salman Rahman, Samuel Schmidgall +33AI Agents for Scientific DiscoveryScientific Discovery

  14. VERITAS: A Multi-Agent Co-Scientist for Verifiable Image-Derived Hypothesis Testing

    Apr 13, 2026Lucas Stoffl, Benedikt Wiestler, Johannes C. PaetzoldAI Agents for Scientific DiscoveryHealthcare

  15. TRACE: A Multi-Agent System for Autonomous Physical Reasoning for Seismology

    Mar 22, 2026Feng Liu, Xin Cui, Jian Xu +11Physical ReasoningAI Agents for Scientific Discovery

  16. EvoScientist: Towards Multi-Agent Evolving AI Scientists for End-to-End Scientific Discovery

    Mar 9, 2026Yougang Lyu, Xi Zhang, Yuyue Zhao +11Multi-Agent LLM SystemsAI Agents for Scientific Discovery

  17. PeroMAS: A Multi-agent System of Perovskite Material Discovery

    Feb 10, 2026Yishu Wang, Wei Liu, Yifan Li +8Multi-Agent LLM SystemsAI Agents for Scientific Discovery

  18. AGAPI-Agents: An Open-Access Agentic AI Platform for Accelerated Materials Design on AtomGPT.org

    Dec 12, 2025Jaehyung Lee, Justin Ely, Kent Zhang +3AI Agents for Scientific DiscoveryLLM Agent Evaluation

  19. Multi-Agent Design Assistant for the Simulation of Inertial Fusion Energy

    Oct 2, 2025Meir H. Shachar, Dane M. Sterbentz, Harshitha Menon +10Multi-Agent LLM SystemsAI Agents for Scientific Discovery

  20. Agentic Exploration of Physics Models

    Sep 29, 2025Maximilian Nägele, Florian MarquardtAI Agents for Scientific DiscoveryScientific Discovery

  21. El Agente Quntur: A research collaborator agent for quantum chemistry

    Date pendingJuan B. Pérez-Sánchez, Yunheng Zou, Jorge A. Campos-Gonzalez-Angulo +12AI Agents for Scientific DiscoveryQuantum Chemistry

  22. EvoMaster: A Foundational Evolving Agent Framework for Agentic Science at Scale

    Date pendingXinyu Zhu, Yuzhu Cai, Zexi Liu +20Continual Learning for LLM AgentsAI Agents for Scientific Discovery