{"total":11,"items":[{"citing_arxiv_id":"2605.14527","ref_index":111,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"Lang2MLIP: End-to-End Language-to-Machine Learning Interatomic Potential Development with Autonomous Agentic Workflows","primary_cat":"cs.LG","submitted_at":"2026-05-14T08:10:42+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Lang2MLIP is an LLM multi-agent framework that automates end-to-end development of machine learning interatomic potentials from natural language input for heterogeneous materials systems.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.14154","ref_index":15,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"TSAgent: An Agentic Workflow for Autonomous Transition State Search","primary_cat":"physics.chem-ph","submitted_at":"2026-05-13T22:08:24+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"TSAgent automates transition state searches at DFT accuracy via an agentic loop, reaching 83% success on 100 OC20NEB examples and 70% on 10 held-out cases versus 73% for human experts.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.22571","ref_index":24,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"LARA: Validation-Driven Agentic Supercomputer Workflows for Atomistic Modeling","primary_cat":"physics.comp-ph","submitted_at":"2026-04-24T14:03:42+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"LARA-HPC introduces a validation-first agentic system with dry-run verification and multi-phase refinement that improves robustness of AI-generated DFT workflows on HPC systems.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.16205","ref_index":16,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-17T16:15:19+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"An LLM-orchestrated framework automates the full XANES workflow from natural language to normalized spectra and curated data.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.12198","ref_index":9,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"Towards grounded autonomous research: an end-to-end LLM mini research loop on published computational physics","primary_cat":"physics.comp-ph","submitted_at":"2026-04-14T02:06:59+00:00","verdict":"CONDITIONAL","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"An LLM agent autonomously runs read-plan-compute-compare loops on 111 computational physics papers, raising substantive concerns in 42% of them (97.7% only after execution), and generates a full publishable Comment revising the headline conclusion of a Nature Communications paper on 2D-material MOFs","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.03460","ref_index":22,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"FermiLink: A Unified Agent Framework for Multidomain Autonomous Scientific Simulations","primary_cat":"physics.chem-ph","submitted_at":"2026-04-03T21:09:19+00:00","verdict":"CONDITIONAL","verdict_confidence":"LOW","novelty_score":8.0,"formal_verification":"none","one_line_summary":"FermiLink is a unified AI agent framework that automates multidomain scientific simulations via separated package knowledge bases and a four-layer progressive disclosure mechanism, reproducing 56% of target figures in benchmarks and generating research-grade results on unpublished problems.","context_count":1,"top_context_role":"background","top_context_polarity":"unclear","context_text":"ulations, arXiv.2512.18847 (2025). [20] M. D. Schwartz, Resummation of the C-parameter Sudakov shoulder using effective field theory, arXiv:2601.02484 (2026). [21] Z. Hu, K. Talit, Z. Wang, H. Ahmad, Y. Lin, P. Kaur, C. Lane, E. A. Peterson, Z. Hu, E. A. Nowadnick, and Y. Ding, TritonDFT: Automating DFT with a Multi- Agent Framework, arXiv:2603.03372 (2026). [22] Z. Wang, H. Huang, H. Zhao, C. Xu, S. Zhu, J. Janssen, andV.Viswanathan,DREAMS:DensityFunctionalThe- ory Based Research Engine for Agentic Materials Simu- lation, arXiv:2507.14267 (2025). [23] L. Yao, S. Samantray, A. Ghosh, K. Roccapriore, L. Kovarik, S. Allec, and M. Ziatdinov, Operational- izing Serendipity: Multi-Agent AI Workflows for En- hanced Materials Characterization with Theory-in-the-"},{"citing_arxiv_id":"2603.20630","ref_index":15,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"Evaluating LLM-generated code for domain-specific languages: molecular dynamics with LAMMPS","primary_cat":"cs.SE","submitted_at":"2026-03-21T03:58:40+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"LLM syntax accuracy for LAMMPS scripts improved to 91% parser pass rate, yet only 1/80 scripts were scientifically correct on the hardest prompt; an agentic verification skill raised success to 5/6.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.22755","ref_index":42,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"RADIANT-LLM: an Agentic Retrieval Augmented Generation Framework for Reliable Decision Support in Safety-Critical Nuclear Engineering","primary_cat":"cs.IR","submitted_at":"2026-03-04T01:30:22+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"RADIANT-LLM is a local-first multi-modal RAG system with provenance tracking that delivers lower hallucination rates than general LLMs on nuclear engineering benchmarks.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2602.04850","ref_index":60,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"El Agente Quntur: A research collaborator agent for quantum chemistry","primary_cat":"physics.chem-ph","submitted_at":"2026-02-04T18:38:50+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"El Agente Quntur is a new multi-agent system that uses reasoning over literature and software documentation to autonomously handle the full workflow of quantum chemistry experiments in ORCA.","context_count":1,"top_context_role":"background","top_context_polarity":"background","context_text":"Toward greater autonomy in materials discovery agents: Unifying planning, physics, and scientists. Preprint at https://arxiv.org/abs/2506.05616 (2025). [58] Xia, Z.et al.An agentic framework for autonomous materials computation. Preprint at https://arxiv.org/abs/2512.19458 (2025). [59] Liu, J.et al.VASPilot: MCP-facilitated multi-agent intelligence for autonomous VASP simulations.Chinese Physics B34, 117106 (2025). [60] Wang, Z.et al.DREAMS: Density Functional Theory based research engine for agentic materials simulation. Preprint at https://arxiv.org/abs/2507.14267 (2025). [61] Pham, T. D., Tanikanti, A. & Keçeli, M. ChemGraph: An agentic framework for computational chemistry workflows. Preprint at https://arxiv.org/abs/2506.06363 (2025). [62] Polat, C., Tuncel, M."},{"citing_arxiv_id":"2602.04849","ref_index":13,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"El Agente Estructural: An Artificially Intelligent Molecular Editor","primary_cat":"physics.chem-ph","submitted_at":"2026-02-04T18:38:48+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"El Agente Estructural is a new multimodal agent that performs natural-language-driven 3D molecular geometry editing and generation using integrated domain tools and vision-language models.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2602.00185","ref_index":5,"ref_count":1,"confidence":0.9,"is_internal_anchor":false,"paper_title":"QUASAR: A Universal Autonomous System for Atomistic Simulation and a Benchmark of Its Capabilities","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-01-30T05:29:44+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"QUASAR is a new autonomous LLM-based system that orchestrates multi-scale atomistic simulations and benchmarks as a general reasoning tool rather than a narrow automation script.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null}],"limit":50,"offset":0}