Assessment of fine-tuned large language models for real-world chemistry and material science applications. Herck, J. V., Victoria Gil, M., Maik Jablonka, K., Abrudan, A., S. Anker, A., Asgari, M., Blaiszik, B., Buffo, A., Choudhury, L., Corminboeuf, C., Daglar, H., Mohammad Elahi, A., T. Foster, I., Garcia, S., Garvin, M., Godin, G., L. Good, L., Gu, J., Hu, N. X., Jin, X., Junkers, T., Keskin, S., J. Knowles, T. P., Laplaza, R., Lessona, M., Majumdar, S., Mashhadimoslem, H., D. McIntosh, R., Mohamad Moosavi, S., Mouriño, B., Nerli, F., Pevida, C., Poudineh, N., Rajabi-Kochi, M., L. Saar, K., Saboor, F. H., Sagharichiha, M., J. Schmidt, K., Shi, J., Simone, E., Svatunek, D., Taddei, M., Tetko, I., Tolnai, D., Vahdatifar, S., Whitmer, J., Florian Wieland, D. C., Willumeit-Römer, R., Züttel, A., & Smit, B. Chemical Science, 16(2):670–684, 2025. Publisher: Royal Society of Chemistry
Paper doi bibtex @article{herck_assessment_2025,
title = {Assessment of fine-tuned large language models for real-world chemistry and material science applications},
volume = {16},
url = {https://pubs.rsc.org/en/content/articlelanding/2025/sc/d4sc04401k},
doi = {10.1039/D4SC04401K},
language = {en},
number = {2},
urldate = {2025-01-05},
journal = {Chemical Science},
author = {Herck, Joren Van and Victoria Gil, María and Maik Jablonka, Kevin and Abrudan, Alex and S. Anker, Andy and Asgari, Mehrdad and Blaiszik, Ben and Buffo, Antonio and Choudhury, Leander and Corminboeuf, Clemence and Daglar, Hilal and Mohammad Elahi, Amir and T. Foster, Ian and Garcia, Susana and Garvin, Matthew and Godin, Guillaume and L. Good, Lydia and Gu, Jianan and Hu, Noémie Xiao and Jin, Xin and Junkers, Tanja and Keskin, Seda and J. Knowles, Tuomas P. and Laplaza, Ruben and Lessona, Michele and Majumdar, Sauradeep and Mashhadimoslem, Hossein and D. McIntosh, Ruaraidh and Mohamad Moosavi, Seyed and Mouriño, Beatriz and Nerli, Francesca and Pevida, Covadonga and Poudineh, Neda and Rajabi-Kochi, Mahyar and L. Saar, Kadi and Saboor, Fahimeh Hooriabad and Sagharichiha, Morteza and J. Schmidt, K. and Shi, Jiale and Simone, Elena and Svatunek, Dennis and Taddei, Marco and Tetko, Igor and Tolnai, Domonkos and Vahdatifar, Sahar and Whitmer, Jonathan and Florian Wieland, D. C. and Willumeit-Römer, Regine and Züttel, Andreas and Smit, Berend},
year = {2025},
note = {Publisher: Royal Society of Chemistry},
pages = {670--684},
}
Downloads: 0
{"_id":"m79JgWTDuZa8Ke8vE","bibbaseid":"herck-victoriagil-maikjablonka-abrudan-sanker-asgari-blaiszik-buffo-etal-assessmentoffinetunedlargelanguagemodelsforrealworldchemistryandmaterialscienceapplications-2025","author_short":["Herck, J. V.","Victoria Gil, M.","Maik Jablonka, K.","Abrudan, A.","S. Anker, A.","Asgari, M.","Blaiszik, B.","Buffo, A.","Choudhury, L.","Corminboeuf, C.","Daglar, H.","Mohammad Elahi, A.","T. Foster, I.","Garcia, S.","Garvin, M.","Godin, G.","L. Good, L.","Gu, J.","Hu, N. X.","Jin, X.","Junkers, T.","Keskin, S.","J. Knowles, T. P.","Laplaza, R.","Lessona, M.","Majumdar, S.","Mashhadimoslem, H.","D. McIntosh, R.","Mohamad Moosavi, S.","Mouriño, B.","Nerli, F.","Pevida, C.","Poudineh, N.","Rajabi-Kochi, M.","L. Saar, K.","Saboor, F. H.","Sagharichiha, M.","J. Schmidt, K.","Shi, J.","Simone, E.","Svatunek, D.","Taddei, M.","Tetko, I.","Tolnai, D.","Vahdatifar, S.","Whitmer, J.","Florian Wieland, D. C.","Willumeit-Römer, R.","Züttel, A.","Smit, B."],"bibdata":{"bibtype":"article","type":"article","title":"Assessment of fine-tuned large language models for real-world chemistry and material science applications","volume":"16","url":"https://pubs.rsc.org/en/content/articlelanding/2025/sc/d4sc04401k","doi":"10.1039/D4SC04401K","language":"en","number":"2","urldate":"2025-01-05","journal":"Chemical Science","author":[{"propositions":[],"lastnames":["Herck"],"firstnames":["Joren","Van"],"suffixes":[]},{"propositions":[],"lastnames":["Victoria Gil"],"firstnames":["María"],"suffixes":[]},{"propositions":[],"lastnames":["Maik Jablonka"],"firstnames":["Kevin"],"suffixes":[]},{"propositions":[],"lastnames":["Abrudan"],"firstnames":["Alex"],"suffixes":[]},{"propositions":[],"lastnames":["S. Anker"],"firstnames":["Andy"],"suffixes":[]},{"propositions":[],"lastnames":["Asgari"],"firstnames":["Mehrdad"],"suffixes":[]},{"propositions":[],"lastnames":["Blaiszik"],"firstnames":["Ben"],"suffixes":[]},{"propositions":[],"lastnames":["Buffo"],"firstnames":["Antonio"],"suffixes":[]},{"propositions":[],"lastnames":["Choudhury"],"firstnames":["Leander"],"suffixes":[]},{"propositions":[],"lastnames":["Corminboeuf"],"firstnames":["Clemence"],"suffixes":[]},{"propositions":[],"lastnames":["Daglar"],"firstnames":["Hilal"],"suffixes":[]},{"propositions":[],"lastnames":["Mohammad Elahi"],"firstnames":["Amir"],"suffixes":[]},{"propositions":[],"lastnames":["T. Foster"],"firstnames":["Ian"],"suffixes":[]},{"propositions":[],"lastnames":["Garcia"],"firstnames":["Susana"],"suffixes":[]},{"propositions":[],"lastnames":["Garvin"],"firstnames":["Matthew"],"suffixes":[]},{"propositions":[],"lastnames":["Godin"],"firstnames":["Guillaume"],"suffixes":[]},{"propositions":[],"lastnames":["L. Good"],"firstnames":["Lydia"],"suffixes":[]},{"propositions":[],"lastnames":["Gu"],"firstnames":["Jianan"],"suffixes":[]},{"propositions":[],"lastnames":["Hu"],"firstnames":["Noémie","Xiao"],"suffixes":[]},{"propositions":[],"lastnames":["Jin"],"firstnames":["Xin"],"suffixes":[]},{"propositions":[],"lastnames":["Junkers"],"firstnames":["Tanja"],"suffixes":[]},{"propositions":[],"lastnames":["Keskin"],"firstnames":["Seda"],"suffixes":[]},{"propositions":[],"lastnames":["J. Knowles"],"firstnames":["Tuomas","P."],"suffixes":[]},{"propositions":[],"lastnames":["Laplaza"],"firstnames":["Ruben"],"suffixes":[]},{"propositions":[],"lastnames":["Lessona"],"firstnames":["Michele"],"suffixes":[]},{"propositions":[],"lastnames":["Majumdar"],"firstnames":["Sauradeep"],"suffixes":[]},{"propositions":[],"lastnames":["Mashhadimoslem"],"firstnames":["Hossein"],"suffixes":[]},{"propositions":[],"lastnames":["D. McIntosh"],"firstnames":["Ruaraidh"],"suffixes":[]},{"propositions":[],"lastnames":["Mohamad Moosavi"],"firstnames":["Seyed"],"suffixes":[]},{"propositions":[],"lastnames":["Mouriño"],"firstnames":["Beatriz"],"suffixes":[]},{"propositions":[],"lastnames":["Nerli"],"firstnames":["Francesca"],"suffixes":[]},{"propositions":[],"lastnames":["Pevida"],"firstnames":["Covadonga"],"suffixes":[]},{"propositions":[],"lastnames":["Poudineh"],"firstnames":["Neda"],"suffixes":[]},{"propositions":[],"lastnames":["Rajabi-Kochi"],"firstnames":["Mahyar"],"suffixes":[]},{"propositions":[],"lastnames":["L. Saar"],"firstnames":["Kadi"],"suffixes":[]},{"propositions":[],"lastnames":["Saboor"],"firstnames":["Fahimeh","Hooriabad"],"suffixes":[]},{"propositions":[],"lastnames":["Sagharichiha"],"firstnames":["Morteza"],"suffixes":[]},{"propositions":[],"lastnames":["J. Schmidt"],"firstnames":["K."],"suffixes":[]},{"propositions":[],"lastnames":["Shi"],"firstnames":["Jiale"],"suffixes":[]},{"propositions":[],"lastnames":["Simone"],"firstnames":["Elena"],"suffixes":[]},{"propositions":[],"lastnames":["Svatunek"],"firstnames":["Dennis"],"suffixes":[]},{"propositions":[],"lastnames":["Taddei"],"firstnames":["Marco"],"suffixes":[]},{"propositions":[],"lastnames":["Tetko"],"firstnames":["Igor"],"suffixes":[]},{"propositions":[],"lastnames":["Tolnai"],"firstnames":["Domonkos"],"suffixes":[]},{"propositions":[],"lastnames":["Vahdatifar"],"firstnames":["Sahar"],"suffixes":[]},{"propositions":[],"lastnames":["Whitmer"],"firstnames":["Jonathan"],"suffixes":[]},{"propositions":[],"lastnames":["Florian Wieland"],"firstnames":["D.","C."],"suffixes":[]},{"propositions":[],"lastnames":["Willumeit-Römer"],"firstnames":["Regine"],"suffixes":[]},{"propositions":[],"lastnames":["Züttel"],"firstnames":["Andreas"],"suffixes":[]},{"propositions":[],"lastnames":["Smit"],"firstnames":["Berend"],"suffixes":[]}],"year":"2025","note":"Publisher: Royal Society of Chemistry","pages":"670–684","bibtex":"@article{herck_assessment_2025,\n\ttitle = {Assessment of fine-tuned large language models for real-world chemistry and material science applications},\n\tvolume = {16},\n\turl = {https://pubs.rsc.org/en/content/articlelanding/2025/sc/d4sc04401k},\n\tdoi = {10.1039/D4SC04401K},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2025-01-05},\n\tjournal = {Chemical Science},\n\tauthor = {Herck, Joren Van and Victoria Gil, María and Maik Jablonka, Kevin and Abrudan, Alex and S. Anker, Andy and Asgari, Mehrdad and Blaiszik, Ben and Buffo, Antonio and Choudhury, Leander and Corminboeuf, Clemence and Daglar, Hilal and Mohammad Elahi, Amir and T. Foster, Ian and Garcia, Susana and Garvin, Matthew and Godin, Guillaume and L. Good, Lydia and Gu, Jianan and Hu, Noémie Xiao and Jin, Xin and Junkers, Tanja and Keskin, Seda and J. Knowles, Tuomas P. and Laplaza, Ruben and Lessona, Michele and Majumdar, Sauradeep and Mashhadimoslem, Hossein and D. McIntosh, Ruaraidh and Mohamad Moosavi, Seyed and Mouriño, Beatriz and Nerli, Francesca and Pevida, Covadonga and Poudineh, Neda and Rajabi-Kochi, Mahyar and L. Saar, Kadi and Saboor, Fahimeh Hooriabad and Sagharichiha, Morteza and J. Schmidt, K. and Shi, Jiale and Simone, Elena and Svatunek, Dennis and Taddei, Marco and Tetko, Igor and Tolnai, Domonkos and Vahdatifar, Sahar and Whitmer, Jonathan and Florian Wieland, D. C. and Willumeit-Römer, Regine and Züttel, Andreas and Smit, Berend},\n\tyear = {2025},\n\tnote = {Publisher: Royal Society of Chemistry},\n\tpages = {670--684},\n}\n\n","author_short":["Herck, J. V.","Victoria Gil, M.","Maik Jablonka, K.","Abrudan, A.","S. Anker, A.","Asgari, M.","Blaiszik, B.","Buffo, A.","Choudhury, L.","Corminboeuf, C.","Daglar, H.","Mohammad Elahi, A.","T. Foster, I.","Garcia, S.","Garvin, M.","Godin, G.","L. Good, L.","Gu, J.","Hu, N. X.","Jin, X.","Junkers, T.","Keskin, S.","J. Knowles, T. P.","Laplaza, R.","Lessona, M.","Majumdar, S.","Mashhadimoslem, H.","D. McIntosh, R.","Mohamad Moosavi, S.","Mouriño, B.","Nerli, F.","Pevida, C.","Poudineh, N.","Rajabi-Kochi, M.","L. Saar, K.","Saboor, F. H.","Sagharichiha, M.","J. Schmidt, K.","Shi, J.","Simone, E.","Svatunek, D.","Taddei, M.","Tetko, I.","Tolnai, D.","Vahdatifar, S.","Whitmer, J.","Florian Wieland, D. C.","Willumeit-Römer, R.","Züttel, A.","Smit, B."],"key":"herck_assessment_2025","id":"herck_assessment_2025","bibbaseid":"herck-victoriagil-maikjablonka-abrudan-sanker-asgari-blaiszik-buffo-etal-assessmentoffinetunedlargelanguagemodelsforrealworldchemistryandmaterialscienceapplications-2025","role":"author","urls":{"Paper":"https://pubs.rsc.org/en/content/articlelanding/2025/sc/d4sc04401k"},"metadata":{"authorlinks":{}}},"bibtype":"article","biburl":"https://api.zotero.org/users/5547450/collections/KYP3WIGT/items?key=0FxZIDxan0XB1IJwBqRw7Zmy&format=bibtex&limit=100","dataSources":["Y3TRsSkRHTF5jMG7b"],"keywords":[],"search_terms":["assessment","fine","tuned","large","language","models","real","world","chemistry","material","science","applications","herck","victoria gil","maik jablonka","abrudan","s. anker","asgari","blaiszik","buffo","choudhury","corminboeuf","daglar","mohammad elahi","t. foster","garcia","garvin","godin","l. good","gu","hu","jin","junkers","keskin","j. knowles","laplaza","lessona","majumdar","mashhadimoslem","d. mcintosh","mohamad moosavi","mouriño","nerli","pevida","poudineh","rajabi-kochi","l. saar","saboor","sagharichiha","j. schmidt","shi","simone","svatunek","taddei","tetko","tolnai","vahdatifar","whitmer","florian wieland","willumeit-römer","züttel","smit"],"title":"Assessment of fine-tuned large language models for real-world chemistry and material science applications","year":2025}