Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-05-08T17:38:30.092429Z
Paper Citation Record · LEDGER
As of 13 August 2026, this Paper Citation Record lists 100 of 299 outbound references and 2 inbound Pith citation observations for arXiv:2605.03205.
A citation records a reference. It does not transfer a finding from one paper to another.
Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-05-08T17:38:30.092429Z
One-hop event checks from named stored sources.
Source: scholarly_work_events, retraction_status_cache, observed 2026-08-13T06:32:02.005865+00:00
Pith citing papers itemized under the disclosed page cap.
Source: paper_references, paper_reference_links, observed 2026-06-26T20:02:40.742009Z
A source-named dated measurement, never combined with another source.
Source: pith, observed 2026-07-04T08:39:42.381715Z
100 of 299 outbound references displayed
External citation measurements
No source-named external measurement is stored.
Observation b160d81d-4d1b-49d0-9300-323c44d4d848 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Enabling large language models for real-world materials discovery
Reference 1
Source-reported events for the cited work
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Observation 28ee4ffd-fbb9-499b-98e3-f504f9dd5c1b · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry An automatic end-to-end chemical synthesis development platform powered by large language models
Reference 2
Source-reported events for the cited work
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Observation ade113f6-e23f-49ff-a5dd-d9397ef9a04d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Comproscanner: a multi-agent based framework forcomposition-propertystructureddataextractionfromscientificliterature
Reference 3
Source-reported events for the cited work
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Observation 78942cdc-31aa-475a-94c6-4f919577f865 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Chemnlp: a natural language-processing-based library for materials chemistry text data
Reference 4
Source-reported events for the cited work
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Observation c42fd9a4-d6fd-4de3-aefd-632ec0047b2d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Language models enable data- augmented synthesis planning for inorganic materials
Reference 5
Source-reported events for the cited work
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Observation ed8fa7ca-640a-44ba-9d45-ee7559eee1e3 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Large language models for reticular chemistry
Reference 6
Source-reported events for the cited work
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Observation 07974899-4020-454a-b1d4-7ac90f698f46 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Towards foundation models for materials science: The open matsci ml toolkit
Reference 7
Source-reported events for the cited work
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Observation ccee2262-79b6-46b5-87dd-8e5a3808c309 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Understanding hackathons for science: Collaboration, affor- dances, and outcomes
Reference 8
Source-reported events for the cited work
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Observation a45af968-1cd4-48ff-914a-ef766b61ab8f · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry How to support newcomers in scientific hackathons-an action research study on expert mentoring
Reference 9
Source-reported events for the cited work
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Observation 19c04cbd-9b8c-4a2d-97ff-2a9cd8ea9abf · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Hack your organizational innovation: literature review and integrative model for running hackathons
Reference 10
Source-reported events for the cited work
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Observation e034ebda-9ea3-43e5-8bc7-7016f8acae41 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Organizing across disciplines to tackle shared computational challenges
Reference 11
Source-reported events for the cited work
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Observation bb41772a-59d7-4ebf-8ca8-78301331a13e · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry 14 examples of how llms can transform materials science and chemistry: a reflection on a large language model hackathon
Reference 12
Source-reported events for the cited work
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Observation c630517c-a735-407f-a402-9b37cf424946 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Reflections from the 2024 large language model (llm) hackathon for applications in materials science and chemistry
Reference 13
Source-reported events for the cited work
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Observation c330414e-9021-43dc-a00b-6b34682f363d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Large language models for chemistry robotics
Reference 14
Source-reported events for the cited work
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Observation 31376ad2-6ff7-4128-b50f-53c354a77519 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Autonomous materials synthesis laboratories: Integrating artificial intel- ligence with advanced robotics for accelerated discovery
Reference 15
Source-reported events for the cited work
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Observation ff9a4f97-3afb-4ef5-80a1-d1738dcd7069 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Agents for self-driving laboratories applied to quantum computing
Reference 16
Source-reported events for the cited work
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Observation 8cbecc58-840b-4d74-a073-d54b240bccfc · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Benchmarks and metrics for evaluations of code generation: A critical review
Reference 17
Source-reported events for the cited work
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Observation 3e47bb17-18b5-46fb-a2c6-a8bbd559978c · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Are large language models superhuman chemists?
Reference 18
Source-reported events for the cited work
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Observation 832d47b1-0787-4b2d-9d9b-bddbb328b754 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Rational design of high-entropy ceramics based on machine learning – a critical review
Reference 19
Source-reported events for the cited work
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Observation b52798fa-482a-475e-bc35-87638d43f11d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Web of science
Reference 20
Source-reported events for the cited work
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Observation 3f10ed7f-2299-4888-ae07-21d9ab489296 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Mistral-large:123b-instruct-2407-q4_0
Reference 21
Source-reported events for the cited work
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Observation 7501a0db-c4f4-46f0-b634-61c3492ea7a1 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Unresolved cited work
Reference 22
Source-reported events for the cited work
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Observation 7d630ab5-b92f-4070-9de7-85b2fdb90e1c · outbound
Reference 23
Source-reported events for the cited work
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Observation 164c2379-c382-4b41-90ce-8a0dd572b1a4 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Mendeleev – a python resource for properties of chemical elements, ions and isotopes
Reference 24
Source-reported events for the cited work
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Observation a89013c2-7b38-440f-bcec-549891adc1cb · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry The nomad laboratory – fair data infrastructure for materials science
Reference 25
Source-reported events for the cited work
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Observation 1d158731-2de7-4efb-9311-ccd37fc69df3 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Factsage thermochemical software and databases
Reference 26
Source-reported events for the cited work
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Observation f06b26d7-4a38-4697-94c4-78c633ac0f7a · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Synthesis and neutron powder diffraction study of the superconductor HgBa2Ca2Cu3O8 +δby Tl substitution
Reference 27
Source-reported events for the cited work
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Observation 368a1fc9-3314-4dce-af6e-8a94cdd7b8ba · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Gemini: A Family of Highly Capable Multimodal Models
Reference 28
Source-reported events for the cited work
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Observation 0869c5a2-d39e-49b5-910c-bc63af31f156 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Exploration of crystal chemical space using text-guided generative artificial intelligence
Reference 29
Source-reported events for the cited work
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Observation 5efa2488-ebc6-4031-8eaf-36872c46ba43 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry The ai revolution in science
Reference 30
Source-reported events for the cited work
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Observation b3bc1236-439b-4e46-b604-50b5448fd7e2 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Language models are few-shot learners
Reference 31
Source-reported events for the cited work
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Observation 210a84b8-7a27-4d91-a5f5-dfc8b925aa54 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry On the dangers of stochastic par- rots: Can language models be too big?
Reference 32
Source-reported events for the cited work
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Observation ca1fb21f-406a-4e2c-ad29-0e3cd6c84b2d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Neural-symbolic computing: An effective methodology for principled integration of machine learning and reasoning
Reference 33
Source-reported events for the cited work
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Observation 153960c2-6d96-4846-a55a-305bf9ce2c0d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry The Dawn After the Dark: An Empirical Study on Factuality Hallucination in Large Language Models
Reference 35
Source-reported events for the cited work
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Observation ea10b980-4937-42bb-9e41-ada7656c69f8 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Grounding llm reasoning with knowledge graphs
Reference 36
Source-reported events for the cited work
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Observation 610798e7-b780-4321-8907-52d2871d18ce · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Making retrieval-augmented language models robust to irrelevant context
Reference 37
Source-reported events for the cited work
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Observation 4c59b548-6053-4b46-939c-3236773b9b0f · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Roadmap on electronic structure codes in the exascale era
Reference 38
Source-reported events for the cited work
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Observation d6568546-743f-41e8-ba3f-3c31585c481d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
Reference 39
Source-reported events for the cited work
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Observation cae37f4b-c2fb-46f7-9adf-89009c314750 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry BigDFT software package
Reference 40
Source-reported events for the cited work
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Observation 47e43a7b-beaa-476e-a5a4-8c4268ed456b · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Exploratory data science on supercomputers for quantum mechanical calculations
Reference 41
Source-reported events for the cited work
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Observation 764691c0-79ae-400a-8a77-ee5ca14c590a · outbound
Reference 42
Source-reported events for the cited work
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Observation 9f65e21f-a8ce-47f3-9283-d8a232d4460d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry A chemical language model for molecular taste prediction
Reference 43
Source-reported events for the cited work
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Observation 1348cab7-43c6-486a-9e6f-d35eebf23631 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Magnetstein: An open-source tool for quantitative nmr mixture analysis robust to low resolution, distorted lineshapes, and peak shifts
Reference 44
Source-reported events for the cited work
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Observation 5d1ac7e5-c40d-448a-8d76-5535637a7869 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry
Reference 45
Source-reported events for the cited work
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Observation f6a286e3-a241-4801-bc24-c700adfb1d7c · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Nmrextractor: Lever- aging large language models to construct an experimental nmr database from open-source scientific publications
Reference 46
Source-reported events for the cited work
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Observation 3773a5ea-8ab1-402e-8143-3fd766b0e09d · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Reactiont5: Apre-trainedtransformermodelforaccuratechemicalreaction prediction with limited data
Reference 47
Source-reported events for the cited work
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Observation 1b569b77-b77d-4599-a201-a08f9b053454 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Gradio: Hassle-Free Sharing and Testing of ML Models in the Wild
Reference 48
Source-reported events for the cited work
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Observation 8d4ebf61-81a4-4b90-819f-043ef6bfc14c · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry DeepSeek-V3 technical report
Reference 49
Source-reported events for the cited work
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Observation dd795c56-4951-4341-984b-ffc5f17176e0 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry A survey on data collection for machine learning: A big data - ai integration perspective
Reference 50
Source-reported events for the cited work
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Observation 8910ea4f-02f6-40ee-89e3-b4b9d7f2de16 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Structural and optical properties of highly hydroxylated fullerenes: stability of molecular domains on the c60 surface
Reference 51
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation 8993a2b3-7061-4df7-a34c-58a091a9f743 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Functionalized fullerene: a key driver for high performance inverted perovskite solar cell
Reference 52
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation 04d9cefc-cf43-419b-adac-5cabffd2f221 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Uma: A family of universal models for atoms
Reference 53
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation c47d5a6e-3349-4097-909d-86659abde707 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry crewai: Framework for orchestrating role-playing, autonomous ai agents
Reference 54
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation 45b16a9f-7396-4f96-ad77-0cdfc0aff552 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry DeepSeek-R1 incentivizes reasoning in LLMs through reinforcement learning
Reference 55
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation d2ff400b-1a42-4a6b-bec9-9b9752c5bbd3 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Training a scientific reasoning model for chemistry
Reference 56
Source-reported events for the cited work
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Observation 4adb33db-54fb-4eaf-82d7-3ce9a2dae8a7 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Thought anchors: Which llm reasoning steps matter?
Reference 57
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation bd91f965-16ab-4831-abc2-f35cd60eace7 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Introductory tutorials for simulating protein dynamics with gromacs
Reference 58
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation 750967b7-01f3-4856-8e3c-184bb920153f · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Streamlit: The fastest way to build data apps
Reference 59
Source-reported events for the cited work
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Observation be459a43-9fc2-417e-b2d5-752c41c60cc6 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Lammps - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Reference 60
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation 932e14c5-b20e-4218-83cc-a0179e9dd501 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Gromacs: Amessage-passingparallelmolecular dynamics implementation
Reference 61
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation 9ee51599-4169-4eed-99e6-e3dcc4b38cba · outbound
Reference 62
Source-reported events for the cited work
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Observation 4f04f450-e285-42d4-9e8c-4267bdc1365b · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Chatgpt (openai api)
Reference 63
Source-reported events for the cited work
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Observation c67fff16-60ed-4f5f-b230-91b8f620dc38 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Oxdna. org: a public webserver for coarse-grained simulations of dna and rna nanostructures
Reference 64
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation c86cd596-7af4-45ee-a40a-c62a5a451da5 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Hoomd-blue: A python package for high-performance molecular dynamics and hard particle monte carlo simulations
Reference 65
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-13T06:32:02.005865+00:00.
Observation cef5711f-9c00-47d4-8fba-968efe890183 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Concepts for a semantically acces- sible materials data space: Overview over specific implementations in materials science
Reference 66
Source-reported events for the cited work
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Observation 0a0e9e56-a666-4b51-8a08-f73531ce1b0a · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Seamless science: Lifting experimental mechanical testing lab data to an interoperable semantic representation
Reference 67
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Observation 5e251028-4de6-4a8a-bb11-95c9db80f76f · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry MuLMS: A Multi-Layer Annotated Text Corpus for Information Extraction in the Materials Science Domain
Reference 68
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Pmd core ontology: Achieving semantic interoperability in materials science
Reference 69
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Observation 129f7b62-f8e0-4ff7-9e77-d7b55a0e78f5 · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Bridging microscopy with molecular dynamics and quantum simulations: an atomai based pipeline
Reference 70
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry AtomAI: A Deep Learning Framework for Analysis of Image and Spectroscopy Data in (Scanning) Transmission Electron Microscopy and Beyond
Reference 71
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Localization and segmentation of atomic columns in supported nanoparticles for fast scanning transmission electron microscopy
Reference 72
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Microscopy study of structural evolution in epitaxial licoo2 positive electrode films during electrochemical cycling
Reference 73
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Deep learning enabled strain mapping of single-atom defects in two- dimensional transition metal dichalcogenides with sub-picometer precision
Reference 74
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Mechanistic insights into potassium- assistant thermal-catalytic oxidation of soot over single-crystalline srtio3 nanotubes with ordered meso- pores
Reference 75
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry A foundation model for atomistic materials chemistry
Reference 76
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry New substructure filters for removal of pan assay interference com- pounds (pains) from screening libraries and for their exclusion in bioassays
Reference 77
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Chemistry: Chemical con artists foil drug discovery
Reference 78
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Chemberta: Large-scale self-supervised pretraining for molecular property prediction
Reference 79
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Neural scaling of deep chemical models
Reference 80
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry TxGemma: Efficient and Agentic LLMs for Therapeutics
Reference 81
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Reference 82
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Chemgraph: An agentic framework for computational chemistry workflows
Reference 83
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Mace: Higher order equivariant message passing neural networks for fast and accurate force fields
Reference 84
Source-reported events for the cited work
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Uma: A family of universal models for atoms
Reference 85
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Gfn2-xtb—an accurate and broadly parametrized self- consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions
Reference 86
Source-reported events for the cited work
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Mace4ir: A foundation model for molecular infrared spectroscopy
Reference 87
Source-reported events for the cited work
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Physnet: A neural network for predicting energies, forces, dipole mo- ments, and partial charges
Reference 88
Source-reported events for the cited work
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Reference 89
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry A unified approach to interpreting model predictions
Reference 90
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Axiomatic attribution for deep networks
Reference 91
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry "why should i trust you?
Reference 92
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry A perspective on explanations of molecular prediction models
Reference 93
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Human interpretable structure-property relationships in chemistry using explainable machine learning and large language models
Reference 94
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry The joint automated repository for various integrated simulations (jarvis) for data-driven materials design
Reference 95
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Matminer: An open source toolkit for materials data mining
Reference 96
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry A chemical scale for crystal-structure maps
Reference 97
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Observation 75d6705d-9b10-4cb7-8d24-56013520d05f · outbound
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry The earth mover’s distance as a metric for the space of inorganic compositions
Reference 98
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry On representing chemical environments
Reference 99
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Dscribe: Library of descriptors for machine learning in materials science
Reference 100
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Robocrystallographer: automated crystal structure text descriptions and analysis
Reference 101
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Reference 44
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ARIA: A Causal-Aware Framework for Rescuing LLM Reasoning in Trustworthy Materials Discovery From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Reference 30
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