Paper Citation Record · LEDGER

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction

As of 22 August 2026, this Paper Citation Record lists 40 of 40 outbound references and 1 inbound Pith citation observation for arXiv:2509.10210.

A citation records a reference. It does not transfer a finding from one paper to another.

pith.paper-citation-record.v1
2509.10210 v1

Coverage vector

measured 40 of 40 reference resolution

Typed states for the displayed outbound observations.

Source: paper_references, paper_reference_links, observed 2026-08-04T18:07:32.282826Z

measured 41 of 41 standing notices

One-hop event checks from named stored sources.

Source: scholarly_work_events, retraction_status_cache, observed 2026-08-22T06:32:14.747728+00:00

measured 1 of 1 inbound itemization

Pith citing papers itemized under the disclosed page cap.

Source: paper_references, paper_reference_links, observed 2026-05-16T06:48:44.713745Z

measured 0 of 1 external citation measurements

A source-named dated measurement, never combined with another source.

Source: arxiv_reference, observed 2026-05-16T06:50:42.444135Z

Reference resolution

40 of 40 outbound references displayed

verified exact0
verified fuzzy0
unresolved40
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malformed identifier0
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External citation measurements

No source-named external measurement is stored.

Outbound references

Observation 5a46c77e-e297-471f-974c-8d04e0cb5c3a · outbound

This paper cites Construction of the Literature Graph in Semantic Scholar.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Construction of the Literature Graph in Semantic Scholar

Reference 1

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.183403Z

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Observation 238b536c-5b02-4470-9bce-728e4acc0cd7 · outbound

This paper cites Trappe-zeo: Transferable potentials for phase equilibria force field for all-silica zeolites.The Journal of Physical Chemistry C, 117(46):24375– 24387, 2013.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Trappe-zeo: Transferable potentials for phase equilibria force field for all-silica zeolites.The Journal of Physical Chemistry C, 117(46):24375– 24387, 2013

Reference 2

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.187294Z

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Observation 5e6fc119-276c-4faf-83cd-ce66177caaf6 · outbound

This paper cites Autonomous chemical research with large language models.Nature, 624(7992):570–578, 2023.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Autonomous chemical research with large language models.Nature, 624(7992):570–578, 2023

Reference 3

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.190325Z

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Observation 04e72ba9-0142-4491-9fc6-4714e11c25a4 · outbound

This paper cites Sparks of Artificial General Intelligence: Early experiments with GPT-4.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Sparks of Artificial General Intelligence: Early experiments with GPT-4

Reference 4

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.193100Z

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Observation 80fc0be0-db81-4294-bf8b-759d866909cb · outbound

This paper cites Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites.Journal of the American Chemical Society, 126(36):11377–11386, 2004.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites.Journal of the American Chemical Society, 126(36):11377–11386, 2004

Reference 5

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.196664Z

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Observation 568ac308-2f08-4574-be40-f2d6125e9504 · outbound

This paper cites Large Language Models for Planning: A Comprehensive and Systematic Survey.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Large Language Models for Planning: A Comprehensive and Systematic Survey

Reference 6

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.199498Z

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Observation 7aaa6e24-8041-4893-81fe-b71c14f19a14 · outbound

This paper cites A process-level perspective of the impact of molecular force fields on the computational screening of mofs for carbon capture.Energy & Environmental Science, 16(9):3899–3918, 2023.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction A process-level perspective of the impact of molecular force fields on the computational screening of mofs for carbon capture.Energy & Environmental Science, 16(9):3899–3918, 2023

Reference 7

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.203125Z

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Observation 583de7af-55ce-4f28-b49d-9e26f5f1d995 · outbound

This paper cites High-throughput computational screening of metal–organic frameworks.Chemical Society Reviews, 43(16):5735–5749, 2014.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction High-throughput computational screening of metal–organic frameworks.Chemical Society Reviews, 43(16):5735–5749, 2014

Reference 8

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.205375Z

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Observation 0af67975-c43f-4a80-9c8c-6ce90c668db7 · outbound

This paper cites From microporous to mesoporous molecular sieve materials and their use in catalysis.Chemical reviews, 97(6):2373–2420, 1997.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction From microporous to mesoporous molecular sieve materials and their use in catalysis.Chemical reviews, 97(6):2373–2420, 1997

Reference 9

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.207434Z

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Observation d9245953-d86a-499c-b218-324aef01bf6b · outbound

This paper cites Responsive metal–organic frameworks and framework materials: under pressure, taking the heat, in the spotlight, with friends.Chemistry of Materials, 27(6):1905– 1916, 2015.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Responsive metal–organic frameworks and framework materials: under pressure, taking the heat, in the spotlight, with friends.Chemistry of Materials, 27(6):1905– 1916, 2015

Reference 10

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.210032Z

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Observation e4658e9d-480b-422a-8c89-6a99dfb6e72b · outbound

This paper cites Organa: A robotic assistant for automated chemistry experimentation and characterization.Matter, 8(2), 2025.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Organa: A robotic assistant for automated chemistry experimentation and characterization.Matter, 8(2), 2025

Reference 11

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.212116Z

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Observation ba1713b7-422b-4de5-8037-c71fd36ec544 · outbound

This paper cites Raspa: molecular simulation software for adsorption and diffusion in flexible nanoporous materials.Molecular Simulation, 42(2):81–101, 2016.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Raspa: molecular simulation software for adsorption and diffusion in flexible nanoporous materials.Molecular Simulation, 42(2):81–101, 2016

Reference 12

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.214637Z

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Observation a86b663b-929d-4f3f-abfc-7b3f02a14f48 · outbound

This paper cites Calculating geometric surface areas as a characterization tool for metal- organic frameworks.The Journal of Physical Chemistry C, 111(42):15350–15356, 2007.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Calculating geometric surface areas as a characterization tool for metal- organic frameworks.The Journal of Physical Chemistry C, 111(42):15350–15356, 2007

Reference 13

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.217203Z

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Observation 70fe8a33-01ce-4827-83c0-97805dd1d974 · outbound

This paper cites First principles derived, transferable force fields for co 2 adsorption in na- exchanged cationic zeolites.Physical Chemistry Chemical Physics, 15(31):12882–12894, 2013.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction First principles derived, transferable force fields for co 2 adsorption in na- exchanged cationic zeolites.Physical Chemistry Chemical Physics, 15(31):12882–12894, 2013

Reference 14

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.219371Z

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Observation 6c614487-6844-4e54-a17b-0ee1f891e17b · outbound

This paper cites Performance-based screening of porous materials for carbon capture.Chemical Reviews, 121(17):10666–10741, 2021.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Performance-based screening of porous materials for carbon capture.Chemical Reviews, 121(17):10666–10741, 2021

Reference 15

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.221707Z

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Observation 11749e65-5b32-42fd-929f-c0929fc3c36a · outbound

This paper cites an unresolved cited work.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Unresolved cited work

Reference 16

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.223981Z

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Observation 45bdd4ba-cc62-479e-b187-4fd2047a945b · outbound

This paper cites The chemistry and applications of metal-organic frameworks.Science, 341(6149):1230444, 2013.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction The chemistry and applications of metal-organic frameworks.Science, 341(6149):1230444, 2013

Reference 17

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.226158Z

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Observation 63da1f0c-b8ff-4e7d-b499-7a79284a1f45 · outbound

This paper cites Transferable force field for carbon dioxide adsorption in zeolites.The Journal of Physical Chemistry C, 113(20):8814–8820, 2009.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Transferable force field for carbon dioxide adsorption in zeolites.The Journal of Physical Chemistry C, 113(20):8814–8820, 2009

Reference 18

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.228992Z

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Observation dc7e9520-1a7c-4a46-a85c-b880fb643667 · outbound

This paper cites Carbon dioxide’s liquid-vapor coexistence curve and critical properties as predicted by a simple molecular model.The Journal of Physical Chemistry, 99(31):12021–12024, 1995.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Carbon dioxide’s liquid-vapor coexistence curve and critical properties as predicted by a simple molecular model.The Journal of Physical Chemistry, 99(31):12021–12024, 1995

Reference 19

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.231356Z

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Observation 21df5d3d-f546-42d4-90c3-d0c7d2908517 · outbound

This paper cites Understanding the planning of LLM agents: A survey.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Understanding the planning of LLM agents: A survey

Reference 20

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.233686Z

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Observation 2ff345b9-c363-4098-a93c-bc4242919f30 · outbound

This paper cites Selective gas adsorption and separation in metal–organic frameworks.Chemical Society Reviews, 38(5):1477–1504, 2009.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Selective gas adsorption and separation in metal–organic frameworks.Chemical Society Reviews, 38(5):1477–1504, 2009

Reference 21

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.236111Z

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Observation 1a2d0ee3-d07c-4515-87c0-77c885ade16d · outbound

This paper cites LLM4SR: A Survey on Large Language Models for Scientific Research.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction LLM4SR: A Survey on Large Language Models for Scientific Research

Reference 22

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.238356Z

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Observation ce22dbb8-ea50-42a9-a93e-c7b8188a19cf · outbound

This paper cites Bran, Sam Cox, Oliver Schilter, Carlo Baldassari, Andrew D White, and Philippe Schwaller.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Bran, Sam Cox, Oliver Schilter, Carlo Baldassari, Andrew D White, and Philippe Schwaller

Reference 23

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.240877Z

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Observation 7fd8ed82-d2da-410a-b8d6-b00de8a90cff · outbound

This paper cites Transferable force fields for adsorption of small gases in zeolites.Physical Chemistry Chemical Physics, 17(37):24048–24055, 2015.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Transferable force fields for adsorption of small gases in zeolites.Physical Chemistry Chemical Physics, 17(37):24048–24055, 2015

Reference 24

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.244401Z

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Observation 829fa468-82dc-41ab-ade5-329d54961e23 · outbound

This paper cites Too many materials and too many appli- cations: an experimental problem waiting for a computational solution.ACS central science, 6(11):1890–1900, 2020.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Too many materials and too many appli- cations: an experimental problem waiting for a computational solution.ACS central science, 6(11):1890–1900, 2020

Reference 25

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.247389Z

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Observation 86f8c854-3fac-4582-8f27-e77d4b0f5100 · outbound

This paper cites Towards scientific intelligence: A survey of llm-based scientific agents.arXiv preprint arXiv:2503.24047, 2025.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Towards scientific intelligence: A survey of llm-based scientific agents.arXiv preprint arXiv:2503.24047, 2025

Reference 26

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.249541Z

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Observation f697117a-4f31-4c5c-800c-e08c44f18f45 · outbound

This paper cites Adsorption of carbon dioxide in non-löwenstein zeolites.Chemistry of Materials, 35(13):5222–5231, 2023.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Adsorption of carbon dioxide in non-löwenstein zeolites.Chemistry of Materials, 35(13):5222–5231, 2023

Reference 27

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.251821Z

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Observation 39296656-4f25-4b22-9d9a-d7ac702de332 · outbound

This paper cites An automatic end-to-end chemical synthesis development platform powered by large language models.Nature communications, 15(1):10160, 2024.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction An automatic end-to-end chemical synthesis development platform powered by large language models.Nature communications, 15(1):10160, 2024

Reference 28

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.254194Z

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Observation 0043023a-3ea4-42c7-a35f-9c126341385c · outbound

This paper cites Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.Chemical reviews, 108(10):4125–4184, 2008.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.Chemical reviews, 108(10):4125–4184, 2008

Reference 29

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.256447Z

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Observation 122036bd-7457-4202-8a55-0a94ea5af4a5 · outbound

This paper cites Cognitive architec- tures for language agents.Transactions on Machine Learning Research, 2023.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Cognitive architec- tures for language agents.Transactions on Machine Learning Research, 2023

Reference 30

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.258925Z

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Observation 617d3a85-fb57-4ead-af72-1fac8efeeae7 · outbound

This paper cites Self-driving laboratories for chemistry and materials science.Chemical Reviews, 124(16):9633–9732, 2024.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Self-driving laboratories for chemistry and materials science.Chemical Reviews, 124(16):9633–9732, 2024

Reference 31

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.261360Z

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Observation 343d1e51-2807-40ff-95bb-8a13605a7644 · outbound

This paper cites an unresolved cited work.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Unresolved cited work

Reference 32

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.264289Z

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Observation e19d3474-df32-454f-9b68-f9c1280d97e5 · outbound

This paper cites Executable code actions elicit better llm agents.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Executable code actions elicit better llm agents

Reference 33

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.266690Z

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Observation 8a011cc5-f6dd-4ae9-af4a-2987d514d15a · outbound

This paper cites PlanGenLLMs: A Modern Survey of LLM Planning Capabilities.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction PlanGenLLMs: A Modern Survey of LLM Planning Capabilities

Reference 34

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.268837Z

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Observation 745547c1-145a-449a-8f86-033172d404e4 · outbound

This paper cites Large-scale screening of hypothetical metal–organic frameworks.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Large-scale screening of hypothetical metal–organic frameworks

Reference 35

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.271348Z

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Unavailable: canonical work link unavailable.

Observation c38e5eb6-4574-4f25-806f-375d2243e5de · outbound

This paper cites Llm4workflow: An llm-based automated workflow model generation tool.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Llm4workflow: An llm-based automated workflow model generation tool

Reference 36

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.273873Z

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Observation 2613c074-e102-47f8-a881-03596bf8a9b5 · outbound

This paper cites React: Synergizing reasoning and acting in language models.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction React: Synergizing reasoning and acting in language models

Reference 37

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.276493Z

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Observation 151ede9d-8b1f-42bb-a96a-66ea74a483fe · outbound

This paper cites Large language models for chemistry robotics.Autonomous Robots, 47(8):1057–1086, 2023.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Large language models for chemistry robotics.Autonomous Robots, 47(8):1057–1086, 2023

Reference 38

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.278436Z

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Observation d2aafb7a-d7f4-4f79-a61d-2cfd2ff63a32 · outbound

This paper cites Agent-as-a-Judge: Evaluate Agents with Agents.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction Agent-as-a-Judge: Evaluate Agents with Agents

Reference 39

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.280584Z

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Observation 9db043ef-3b31-4676-9325-1e6d44e01cc2 · outbound

This paper cites El agente: An autonomous agent for quantum chemistry.Matter, 8(7), 2025.

Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction El agente: An autonomous agent for quantum chemistry.Matter, 8(7), 2025

Reference 40

Resolution: unresolved; no resolver link, observed 2026-08-04T18:07:32.282826Z

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Pith citing papers

Observation 60e8f9cf-a183-4fb7-bab5-e837cea5d423 · inbound

El Agente Quntur: A research collaborator agent for quantum chemistry cites this paper.

El Agente Quntur: A research collaborator agent for quantum chemistry Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction

Reference 56

Resolution: verified exact; arxiv_id, observed 2026-05-16T06:50:42.445970Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-22T06:32:14.747728+00:00.