{"id":"https://openalex.org/W7140230524","doi":"https://doi.org/10.48550/arxiv.2603.20389","title":"A chemical language model for reticular materials design","display_name":"A chemical language model for reticular materials design","publication_year":2026,"publication_date":"2026-03-20","ids":{"openalex":"https://openalex.org/W7140230524","doi":"https://doi.org/10.48550/arxiv.2603.20389"},"language":null,"primary_location":{"id":"doi:10.48550/arxiv.2603.20389","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.20389","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"type":"preprint","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.48550/arxiv.2603.20389","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Menon, Dhruv","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Menon, Dhruv","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Singh, Vivek","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Singh, Vivek","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Chen, Xu","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Chen, Xu","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Kiapi, Mohammad Reza Alizadeh","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kiapi, Mohammad Reza Alizadeh","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Zyuzin, Ivan","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Zyuzin, Ivan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Macleod, Hamish W.","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Macleod, Hamish W.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Rampal, Nakul","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rampal, Nakul","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Shepard, William","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Shepard, William","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Yaghi, Omar M.","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yaghi, Omar M.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":null,"display_name":"Fairen-Jimenez, David","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Fairen-Jimenez, David","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10096","display_name":"Metal-Organic Frameworks: Synthesis and Applications","score":0.699400007724762,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10096","display_name":"Metal-Organic Frameworks: Synthesis and Applications","score":0.699400007724762,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10578","display_name":"Supramolecular Chemistry and Complexes","score":0.1965000033378601,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10612","display_name":"Magnetism in coordination complexes","score":0.019899999722838402,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/reticular-connective-tissue","display_name":"Reticular connective tissue","score":0.6043999791145325},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.5164999961853027},{"id":"https://openalex.org/keywords/limiting","display_name":"Limiting","score":0.5130000114440918},{"id":"https://openalex.org/keywords/modular-design","display_name":"Modular design","score":0.5084999799728394},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.4438000023365021},{"id":"https://openalex.org/keywords/translation","display_name":"Translation (biology)","score":0.39480000734329224}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6500999927520752},{"id":"https://openalex.org/C95190701","wikidata":"https://www.wikidata.org/wiki/Q3268002","display_name":"Reticular connective tissue","level":2,"score":0.6043999791145325},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.5164999961853027},{"id":"https://openalex.org/C188198153","wikidata":"https://www.wikidata.org/wiki/Q1613840","display_name":"Limiting","level":2,"score":0.5130000114440918},{"id":"https://openalex.org/C101468663","wikidata":"https://www.wikidata.org/wiki/Q1620158","display_name":"Modular design","level":2,"score":0.5084999799728394},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.4438000023365021},{"id":"https://openalex.org/C149364088","wikidata":"https://www.wikidata.org/wiki/Q185917","display_name":"Translation (biology)","level":4,"score":0.39480000734329224},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3296999931335449},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3156999945640564},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.30489999055862427},{"id":"https://openalex.org/C136686920","wikidata":"https://www.wikidata.org/wiki/Q750588","display_name":"Reticular activating system","level":4,"score":0.27880001068115234},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.2770000100135803},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.2624000012874603},{"id":"https://openalex.org/C2780557392","wikidata":"https://www.wikidata.org/wiki/Q523796","display_name":"Linker","level":2,"score":0.2572999894618988},{"id":"https://openalex.org/C55396564","wikidata":"https://www.wikidata.org/wiki/Q3084971","display_name":"Process design","level":3,"score":0.2567000091075897}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.48550/arxiv.2603.20389","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.20389","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.48550/arxiv.2603.20389","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.20389","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Reticular":[0],"chemistry":[1,72],"has":[2],"enabled":[3],"the":[4,15,40,49,74,89,96,136,183,214],"synthesis":[5,185],"of":[6,8,10,17,39,52,77,91,109,115,186],"tens":[7],"thousands":[9],"metal-organic":[11],"frameworks":[12,53,84,157],"(MOFs),":[13],"yet":[14],"discovery":[16,51],"new":[18],"materials":[19,165,206],"still":[20],"relies":[21],"largely":[22],"on":[23],"intuition-driven":[24],"linker":[25,128],"design":[26,69,114,219],"and":[27,112,123,146,158,180],"iterative":[28],"experimentation.":[29],"As":[30],"a":[31,36,61,187,200],"result,":[32],"researchers":[33],"explore":[34],"only":[35],"small":[37],"fraction":[38],"vast":[41],"chemical":[42,63,144,210],"space":[43],"accessible":[44],"to":[45,134,162,220],"reticular":[46,71,101,205],"materials,":[47],"limiting":[48],"systematic":[50],"with":[54,120,130,167],"targeted":[55,75],"properties.":[56],"Here,":[57],"we":[58,172],"introduce":[59],"Nexerra-R1,":[60,171],"building-block":[62],"language":[64,211],"model":[65,104],"that":[66,99],"enables":[67,213],"inverse":[68],"in":[70,194,207],"through":[73],"generation":[76,108,129],"organic":[78],"linkers.":[79],"Rather":[80],"than":[81],"generating":[82],"complete":[83],"directly,":[85],"Nexerra-R1":[86],"operates":[87],"at":[88],"level":[90],"molecular":[92],"building":[93],"blocks,":[94],"preserving":[95],"modular":[97],"logic":[98],"underpins":[100],"synthesis.":[102,169],"The":[103,149],"supports":[105],"both":[106],"unconstrained":[107],"low-connectivity":[110],"linkers":[111,151],"scaffold-constrained":[113],"symmetric":[116],"multidentate":[117],"motifs":[118],"compatible":[119,166],"predefined":[121],"nodes":[122],"topologies.":[124],"We":[125],"further":[126],"combine":[127],"flow-guided":[131],"distributional":[132],"targeting":[133],"steer":[135],"generative":[137],"process":[138],"toward":[139],"application-relevant":[140],"objectives":[141],"while":[142],"maintaining":[143],"validity":[145],"assembly":[147],"feasibility.":[148],"generated":[150,192],"are":[152,159],"subsequently":[153],"assembled":[154],"into":[155],"three-dimensional":[156],"structurally":[160],"optimized":[161],"produce":[163],"candidate":[164],"experimental":[168,184],"Using":[170],"validate":[173],"this":[174],"strategy":[175],"by":[176,181],"rediscovering":[177],"known":[178],"MOFs":[179],"proposing":[182],"previously":[188],"unreported":[189],"framework,":[190],"CU-525,":[191],"entirely":[193],"silico.":[195],"Together,":[196],"these":[197],"results":[198],"establish":[199],"general":[201],"inverse-design":[202],"paradigm":[203],"for":[204],"which":[208],"controllable":[209],"modelling":[212],"direct":[215],"translation":[216],"from":[217],"computational":[218],"synthesizable":[221],"frameworks.":[222]},"counts_by_year":[],"updated_date":"2026-07-01T06:00:48.157686","created_date":"2026-03-25T00:00:00"}