{"id":"https://openalex.org/W4406424217","doi":"https://doi.org/10.1007/s13042-024-02473-0","title":"CataLM: empowering catalyst design through large language models","display_name":"CataLM: empowering catalyst design through large language models","publication_year":2025,"publication_date":"2025-01-15","ids":{"openalex":"https://openalex.org/W4406424217","doi":"https://doi.org/10.1007/s13042-024-02473-0"},"language":"en","primary_location":{"id":"doi:10.1007/s13042-024-02473-0","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s13042-024-02473-0","pdf_url":"https://link.springer.com/content/pdf/10.1007/s13042-024-02473-0.pdf","source":{"id":"https://openalex.org/S2764999920","display_name":"International Journal of Machine Learning and Cybernetics","issn_l":"1868-8071","issn":["1868-8071","1868-808X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Machine Learning and Cybernetics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s13042-024-02473-0.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101663060","display_name":"Ludi Wang","orcid":"https://orcid.org/0000-0002-9346-6250"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210108629","display_name":"Computer Network Information Center","ror":"https://ror.org/01s0wyf50","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210108629"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ludi Wang","raw_affiliation_strings":["Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","institution_ids":["https://openalex.org/I4210108629","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070317402","display_name":"Xueqing Chen","orcid":"https://orcid.org/0009-0008-8926-9626"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210108629","display_name":"Computer Network Information Center","ror":"https://ror.org/01s0wyf50","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210108629"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xueqing Chen","raw_affiliation_strings":["Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","University of Chinese Academy of Sciences, Beijing, 100049, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","institution_ids":["https://openalex.org/I4210108629","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, 100049, China","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068395875","display_name":"Yi Du","orcid":"https://orcid.org/0000-0003-3121-8937"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210108629","display_name":"Computer Network Information Center","ror":"https://ror.org/01s0wyf50","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210108629"]},{"id":"https://openalex.org/I4210137766","display_name":"Institute for Advanced Study","ror":"https://ror.org/03xg85719","country_code":"DE","type":"facility","lineage":["https://openalex.org/I4210137766"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN","DE"],"is_corresponding":false,"raw_author_name":"Yi Du","raw_affiliation_strings":["Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","Hangzhou Institute for Advanced Study, UCAS, Hangzhou, 310000, China","University of Chinese Academy of Sciences, Beijing, 100049, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","institution_ids":["https://openalex.org/I4210108629","https://openalex.org/I19820366"]},{"raw_affiliation_string":"Hangzhou Institute for Advanced Study, UCAS, Hangzhou, 310000, China","institution_ids":["https://openalex.org/I4210137766"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, 100049, China","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065865669","display_name":"Yuanchun Zhou","orcid":"https://orcid.org/0000-0003-2144-1131"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210108629","display_name":"Computer Network Information Center","ror":"https://ror.org/01s0wyf50","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210108629"]},{"id":"https://openalex.org/I4210137766","display_name":"Institute for Advanced Study","ror":"https://ror.org/03xg85719","country_code":"DE","type":"facility","lineage":["https://openalex.org/I4210137766"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN","DE"],"is_corresponding":false,"raw_author_name":"Yuanchun Zhou","raw_affiliation_strings":["Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","Hangzhou Institute for Advanced Study, UCAS, Hangzhou, 310000, China","University of Chinese Academy of Sciences, Beijing, 100049, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","institution_ids":["https://openalex.org/I4210108629","https://openalex.org/I19820366"]},{"raw_affiliation_string":"Hangzhou Institute for Advanced Study, UCAS, Hangzhou, 310000, China","institution_ids":["https://openalex.org/I4210137766"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, 100049, China","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101983602","display_name":"Yang Gao","orcid":"https://orcid.org/0000-0002-3451-1904"},"institutions":[{"id":"https://openalex.org/I4210141483","display_name":"National Center for Nanoscience and Technology","ror":"https://ror.org/04f49ff35","country_code":"CN","type":"nonprofit","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210141483"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yang Gao","raw_affiliation_strings":["CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, National Center for Nanoscience and Technology (NCNST), Beijing, 100190, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, National Center for Nanoscience and Technology (NCNST), Beijing, 100190, China","institution_ids":["https://openalex.org/I4210141483"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033697760","display_name":"Wenjuan Cui","orcid":"https://orcid.org/0000-0002-1858-8194"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210108629","display_name":"Computer Network Information Center","ror":"https://ror.org/01s0wyf50","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210108629"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Wenjuan Cui","raw_affiliation_strings":["Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","University of Chinese Academy of Sciences, Beijing, 100049, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Network Information Center, Chinese Academy of Sciences, Beijing, 100083, China","institution_ids":["https://openalex.org/I4210108629","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing, 100049, China","institution_ids":["https://openalex.org/I4210165038"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5033697760","https://openalex.org/A5101983602"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210108629","https://openalex.org/I4210141483","https://openalex.org/I4210165038"],"apc_list":{"value":2790,"currency":"EUR","value_usd":3590},"apc_paid":{"value":2790,"currency":"EUR","value_usd":3590},"fwci":4.8924,"has_fulltext":true,"cited_by_count":17,"citation_normalized_percentile":{"value":0.96107644,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"16","issue":"5-6","first_page":"3681","last_page":"3691"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10028","display_name":"Topic Modeling","score":0.9872999787330627,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.983299970626831,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computational-intelligence","display_name":"Computational intelligence","score":0.6879251003265381},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5135617256164551},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.4321352243423462},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.31261855363845825},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.11280074715614319}],"concepts":[{"id":"https://openalex.org/C139502532","wikidata":"https://www.wikidata.org/wiki/Q1122090","display_name":"Computational intelligence","level":2,"score":0.6879251003265381},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5135617256164551},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.4321352243423462},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.31261855363845825},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.11280074715614319},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s13042-024-02473-0","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s13042-024-02473-0","pdf_url":"https://link.springer.com/content/pdf/10.1007/s13042-024-02473-0.pdf","source":{"id":"https://openalex.org/S2764999920","display_name":"International Journal of Machine Learning and Cybernetics","issn_l":"1868-8071","issn":["1868-8071","1868-808X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Machine Learning and Cybernetics","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1007/s13042-024-02473-0","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s13042-024-02473-0","pdf_url":"https://link.springer.com/content/pdf/10.1007/s13042-024-02473-0.pdf","source":{"id":"https://openalex.org/S2764999920","display_name":"International Journal of Machine Learning and Cybernetics","issn_l":"1868-8071","issn":["1868-8071","1868-808X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Machine Learning and Cybernetics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2641396525","display_name":null,"funder_award_id":"2022YFF0712200","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G4344828322","display_name":null,"funder_award_id":"T2322027","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6919608582","display_name":null,"funder_award_id":"2022YFF0711900","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322847","display_name":"Youth Innovation Promotion Association of the Chinese Academy of Sciences","ror":"https://ror.org/031141b54"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null},{"id":"https://openalex.org/F4320335892","display_name":"Youth Innovation Promotion Association","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4406424217.pdf","grobid_xml":"https://content.openalex.org/works/W4406424217.grobid-xml"},"referenced_works_count":35,"referenced_works":["https://openalex.org/W1976492731","https://openalex.org/W1992985800","https://openalex.org/W2016366655","https://openalex.org/W2076968595","https://openalex.org/W2573377826","https://openalex.org/W2941803205","https://openalex.org/W2970771982","https://openalex.org/W2979826702","https://openalex.org/W2991239953","https://openalex.org/W3201869313","https://openalex.org/W3213675203","https://openalex.org/W4288751893","https://openalex.org/W4290887282","https://openalex.org/W4297253404","https://openalex.org/W4361298520","https://openalex.org/W4362519688","https://openalex.org/W4380434108","https://openalex.org/W4383550741","https://openalex.org/W4385027818","https://openalex.org/W4385565396","https://openalex.org/W4385572634","https://openalex.org/W4385627740","https://openalex.org/W4387779638","https://openalex.org/W4389520259","https://openalex.org/W4391821988","https://openalex.org/W4400543975","https://openalex.org/W6600424091","https://openalex.org/W6601076540","https://openalex.org/W6601899773","https://openalex.org/W6603143895","https://openalex.org/W6606878106","https://openalex.org/W6608687280","https://openalex.org/W6702248584","https://openalex.org/W6756821666","https://openalex.org/W6826116265"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W3193749472","https://openalex.org/W2092275170","https://openalex.org/W1967978480","https://openalex.org/W1974837029","https://openalex.org/W2760087092","https://openalex.org/W4281624531","https://openalex.org/W2347907208"],"abstract_inverted_index":{"The":[0],"field":[1],"of":[2,11,29,70,94],"catalysis":[3],"holds":[4],"paramount":[5],"importance":[6],"in":[7,23,85],"shaping":[8],"the":[9,27,68,92,100,105],"trajectory":[10],"sustainable":[12],"development,":[13],"prompting":[14],"intensive":[15],"research":[16],"efforts":[17],"to":[18,67,104],"leverage":[19],"artificial":[20],"intelligence":[21],"(AI)":[22],"catalyst":[24,86,106,112],"design.":[25,90],"Presently,":[26],"fine-tuning":[28],"open-source":[30],"large":[31,63],"language":[32,64],"models":[33],"(LLMs)":[34],"has":[35],"yielded":[36],"significant":[37],"breakthroughs":[38],"across":[39],"various":[40],"domains":[41],"such":[42],"as":[43,99],"biology":[44],"and":[45,89,114],"healthcare.":[46],"Drawing":[47],"inspiration":[48],"from":[49],"these":[50],"advancements,":[51],"we":[52],"introduce":[53],"CataLM":[54,77,97],"(":[55],"Cata":[56],"lytic":[57],"L":[58],"anguage":[59],"M":[60],"odel),":[61],"a":[62],"model":[65],"tailored":[66],"domain":[69],"electrocatalytic":[71],"materials.":[72],"Our":[73],"findings":[74],"demonstrate":[75],"that":[76],"exhibits":[78],"remarkable":[79],"potential":[80],"for":[81,111],"facilitating":[82],"human-AI":[83],"collaboration":[84],"knowledge":[87],"exploration":[88],"To":[91],"best":[93],"our":[95],"knowledge,":[96],"stands":[98],"pioneering":[101],"LLM":[102],"dedicated":[103],"domain,":[107],"offering":[108],"novel":[109],"avenues":[110],"discovery":[113],"development.":[115]},"counts_by_year":[{"year":2026,"cited_by_count":7},{"year":2025,"cited_by_count":10}],"updated_date":"2026-07-17T09:13:05.818461","created_date":"2025-10-10T00:00:00"}
