{"id":"https://openalex.org/W7127067847","doi":"https://doi.org/10.1039/d5me00188a","title":"Using electrolyte solvent embeddings to guide battery electrolyte discovery","display_name":"Using electrolyte solvent embeddings to guide battery electrolyte discovery","publication_year":2026,"publication_date":"2026-01-01","ids":{"openalex":"https://openalex.org/W7127067847","doi":"https://doi.org/10.1039/d5me00188a"},"language":"en","primary_location":{"id":"doi:10.1039/d5me00188a","doi":"https://doi.org/10.1039/d5me00188a","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d5me00188a","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2026/me/d5me00188a","source":{"id":"https://openalex.org/S4210223080","display_name":"Molecular Systems Design & Engineering","issn_l":"2058-9689","issn":["2058-9689"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","ki-jl-1","norway-1","poland-20","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Systems Design &amp; Engineering","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.rsc.org/en/content/articlepdf/2026/me/d5me00188a","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5127189939","display_name":"Dr. Ritesh Kumar","orcid":"https://orcid.org/0000-0001-6345-6791","observed_orcids":["https://orcid.org/0000-0001-6345-6791"]},"institutions":[{"id":"https://openalex.org/I40347166","display_name":"University of Chicago","ror":"https://ror.org/024mw5h28","country_code":"US","type":"education","lineage":["https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ritesh Kumar","raw_affiliation_strings":["Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL 60637, USA"],"raw_orcid":"https://orcid.org/0000-0001-6345-6791","affiliations":[{"raw_affiliation_string":"Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL 60637, USA","institution_ids":["https://openalex.org/I40347166"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080031632","display_name":"Ke-Hsin Wang","orcid":"https://orcid.org/0009-0003-0263-2546","observed_orcids":["https://orcid.org/0009-0003-0263-2546"]},"institutions":[{"id":"https://openalex.org/I40347166","display_name":"University of Chicago","ror":"https://ror.org/024mw5h28","country_code":"US","type":"education","lineage":["https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ke-Hsin Wang","raw_affiliation_strings":["Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL 60637, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL 60637, USA","institution_ids":["https://openalex.org/I40347166"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5023575115","display_name":"Chibueze V. Amanchukwu","orcid":"https://orcid.org/0000-0002-6573-1213","observed_orcids":["https://orcid.org/0000-0002-6573-1213"]},"institutions":[{"id":"https://openalex.org/I40347166","display_name":"University of Chicago","ror":"https://ror.org/024mw5h28","country_code":"US","type":"education","lineage":["https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Chibueze V. Amanchukwu","raw_affiliation_strings":["Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL 60637, USA"],"raw_orcid":"https://orcid.org/0000-0002-6573-1213","affiliations":[{"raw_affiliation_string":"Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL 60637, USA","institution_ids":["https://openalex.org/I40347166"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I40347166"],"apc_list":null,"apc_paid":null,"fwci":2.9343,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.88541303,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":97},"biblio":{"volume":"11","issue":"5","first_page":"422","last_page":"435"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.6230000257492065,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.6230000257492065,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.28929999470710754,"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/T10018","display_name":"Advancements in Battery Materials","score":0.0568000003695488,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/electrolyte-solvents","display_name":"electrolyte solvents","score":0.7319999933242798},{"id":"https://openalex.org/keywords/lithium-metal-batteries","display_name":"lithium metal batteries","score":0.875},{"id":"https://openalex.org/keywords/chemical-space-exploration","display_name":"chemical space exploration","score":0.8849999904632568},{"id":"https://openalex.org/keywords/machine-learning","display_name":"machine learning","score":0.49799999594688416}],"concepts":[{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.6915000081062317},{"id":"https://openalex.org/C555008776","wikidata":"https://www.wikidata.org/wiki/Q267298","display_name":"Battery (electricity)","level":3,"score":0.4964999854564667},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.4481000006198883},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4456999897956848},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.42730000615119934},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.3889000117778778},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.3806000053882599},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.30219998955726624},{"id":"https://openalex.org/C3020166856","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Organic solvent","level":2,"score":0.29190000891685486},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.2696000039577484}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1039/d5me00188a","doi":"https://doi.org/10.1039/d5me00188a","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d5me00188a","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2026/me/d5me00188a","source":{"id":"https://openalex.org/S4210223080","display_name":"Molecular Systems Design & Engineering","issn_l":"2058-9689","issn":["2058-9689"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","ki-jl-1","norway-1","poland-20","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Systems Design &amp; Engineering","raw_type":"journal-article"},{"id":"doi:10.26434/chemrxiv-2025-7nnbl","doi":"https://doi.org/10.26434/chemrxiv-2025-7nnbl","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-7nnbl","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-7nnbl","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.1039/d5me00188a","doi":"https://doi.org/10.1039/d5me00188a","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d5me00188a","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2026/me/d5me00188a","source":{"id":"https://openalex.org/S4210223080","display_name":"Molecular Systems Design & Engineering","issn_l":"2058-9689","issn":["2058-9689"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","ki-jl-1","norway-1","poland-20","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Systems Design &amp; Engineering","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Affordable and clean energy","score":0.8485000133514404,"id":"https://metadata.un.org/sdg/7"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G2708139785","display_name":null,"funder_award_id":"CBET 2144454","funder_id":"https://openalex.org/F4320337390","funder_display_name":"Division of Chemical, Bioengineering, Environmental, and Transport Systems"},{"id":"https://openalex.org/G5759291249","display_name":"CAREER: Multifunctional electrolyte design and descriptors for lithium metal batteries","funder_award_id":"2144454","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G6671297155","display_name":null,"funder_award_id":"CAREER","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G8320448438","display_name":null,"funder_award_id":"2144454","funder_id":"https://openalex.org/F4320337390","funder_display_name":"Division of Chemical, Bioengineering, Environmental, and Transport Systems"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320309626","display_name":"University of Chicago","ror":"https://ror.org/024mw5h28"},{"id":"https://openalex.org/F4320337390","display_name":"Division of Chemical, Bioengineering, Environmental, and Transport Systems","ror":"https://ror.org/0471zv972"},{"id":"https://openalex.org/F4320338284","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63"},{"id":"https://openalex.org/F8637680854","display_name":"Eric and Wendy Schmidt","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7127067847.pdf","grobid_xml":"https://content.openalex.org/works/W7127067847.grobid-xml"},"referenced_works_count":48,"referenced_works":["https://openalex.org/W1988037271","https://openalex.org/W2071128523","https://openalex.org/W2130479394","https://openalex.org/W2151697120","https://openalex.org/W2155489103","https://openalex.org/W2763902109","https://openalex.org/W2786672974","https://openalex.org/W2989747508","https://openalex.org/W3007309629","https://openalex.org/W3014250364","https://openalex.org/W3027532879","https://openalex.org/W3035811909","https://openalex.org/W3095930111","https://openalex.org/W3127452014","https://openalex.org/W3182425631","https://openalex.org/W3205970623","https://openalex.org/W4205320316","https://openalex.org/W4242320552","https://openalex.org/W4281850962","https://openalex.org/W4307645002","https://openalex.org/W4307958119","https://openalex.org/W4311883458","https://openalex.org/W4313514068","https://openalex.org/W4322008430","https://openalex.org/W4322489988","https://openalex.org/W4362700002","https://openalex.org/W4365814859","https://openalex.org/W4378448474","https://openalex.org/W4381248691","https://openalex.org/W4386709391","https://openalex.org/W4387164156","https://openalex.org/W4388560598","https://openalex.org/W4389592640","https://openalex.org/W4389991855","https://openalex.org/W4396812163","https://openalex.org/W4396977868","https://openalex.org/W4399578264","https://openalex.org/W4405222806","https://openalex.org/W4409077885","https://openalex.org/W4409559570","https://openalex.org/W4409598621","https://openalex.org/W4410560678","https://openalex.org/W4413172009","https://openalex.org/W4413837927","https://openalex.org/W4414287932","https://openalex.org/W4414512361","https://openalex.org/W4417027851","https://openalex.org/W7089711348"],"related_works":["https://openalex.org/W4409077885","https://openalex.org/W7168760843","https://openalex.org/W4411733981","https://openalex.org/W4386874178","https://openalex.org/W7167851337","https://openalex.org/W7202137269","https://openalex.org/W7168966250","https://openalex.org/W7118177057","https://openalex.org/W4411731736","https://openalex.org/W4416567963"],"abstract_inverted_index":{"Electrolyte":[0],"development":[1],"for":[2,14,26,103,130],"next-generation":[3],"batteries":[4,142],"has":[5],"largely":[6],"relied":[7],"on":[8,137],"knowledge-driven":[9],"trial-and-error.":[10],"A":[11],"significant":[12],"reason":[13],"this":[15,59,94],"approach":[16],"is":[17],"due":[18],"to":[19,77,96,110],"the":[20,79,164,182],"vast,":[21],"high-dimensional":[22],"molecular":[23,29],"design":[24],"space":[25,60],"solvents":[27,105],"and":[28,46,50,144,172,180],"mixtures.":[30],"Popular":[31],"dimensionality":[32,83,170],"reduction":[33,84,171],"techniques":[34],"such":[35],"as":[36],"principal":[37],"component":[38],"analysis":[39],"(PCA),":[40],"t-distributed":[41],"stochastic":[42],"neighbor":[43],"embeddings":[44],"(t-SNE),":[45],"uniform":[47],"manifold":[48],"approximation":[49],"projection":[51],"(UMAP)":[52],"can":[53,176],"facilitate":[54],"chemical":[55,166],"exploration":[56],"by":[57,101,114,169,174],"projecting":[58],"into":[61],"low":[62],"dimensions,":[63],"yet":[64],"their":[65],"applicability":[66],"in":[67,86],"electrolyte":[68,98,104,132,149,165],"discovery":[69,100,183],"remains":[70],"underexplored.":[71],"Here,":[72],"we":[73,92],"present":[74],"a":[75,146],"framework":[76,95],"assess":[78],"faithfulness":[80],"of":[81,163,184],"various":[82],"methods":[85],"preserving":[87],"chemically":[88],"meaningful":[89],"relationships.":[90],"Then,":[91],"apply":[93],"guide":[97],"solvent":[99,150],"searching":[102],"with":[106],"high":[107,153],"cosine":[108],"similarity":[109],"state-of-the-art":[111],"systems,":[112],"followed":[113],"formulation":[115],"refinement":[116],"using":[117],"domain":[118],"knowledge.":[119],"We":[120,134],"then":[121],"performed":[122],"experimental":[123],"validation":[124],"which":[125],"revealed":[126],"different":[127,131],"failure":[128],"modes":[129],"selections.":[133],"specifically":[135],"focus":[136],"next":[138],"generation":[139],"lithium":[140],"metal":[141],"(LMBs),":[143],"identified":[145],"non-fluorinated":[147],"ether":[148],"that":[151,160],"exhibited":[152],"Coulombic":[154],"efficiency":[155],"(CE).":[156],"Our":[157],"findings":[158],"demonstrate":[159],"rational":[161],"navigation":[162],"space,":[167],"enabled":[168],"guided":[173],"data,":[175],"complement":[177],"traditional":[178],"approaches":[179],"accelerate":[181],"advanced":[185],"battery":[186],"materials.":[187]},"counts_by_year":[{"year":2026,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2026-02-03T00:00:00"}
