{"id":"https://openalex.org/W6889567806","doi":"https://doi.org/10.25781/kaust-5ylza","title":"Artificial-intelligence driven design of liquid fuels.","display_name":"Artificial-intelligence driven design of liquid fuels.","publication_year":2024,"publication_date":"2024-01-01","ids":{"openalex":"https://openalex.org/W6889567806","doi":"https://doi.org/10.25781/kaust-5ylza"},"language":"en","primary_location":{"id":"doi:10.25781/kaust-5ylza","is_oa":true,"landing_page_url":"https://doi.org/10.25781/kaust-5ylza","pdf_url":null,"source":{"id":"https://openalex.org/S7407051967","display_name":"KAUST Research Repository","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"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":"Dissertation"},"type":"dissertation","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.25781/kaust-5ylza","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Kuzhagaliyeva, Nursulu","orcid":null},"institutions":[{"id":"https://openalex.org/I71920554","display_name":"King Abdullah University of Science and Technology","ror":"https://ror.org/01q3tbs38","country_code":"SA","type":"education","lineage":["https://openalex.org/I71920554"]}],"countries":["SA"],"is_corresponding":true,"raw_author_name":"Kuzhagaliyeva, Nursulu","raw_affiliation_strings":["King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia","institution_ids":["https://openalex.org/I71920554"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I71920554"],"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":true,"primary_topic":{"id":"https://openalex.org/T10117","display_name":"Advanced Combustion Engine Technologies","score":0.2734000086784363,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10117","display_name":"Advanced Combustion Engine Technologies","score":0.2734000086784363,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical 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":0.24560000002384186,"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/T11053","display_name":"Process Optimization and Integration","score":0.07989999651908875,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems 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/component","display_name":"Component (thermodynamics)","score":0.618399977684021},{"id":"https://openalex.org/keywords/range","display_name":"Range (aeronautics)","score":0.47510001063346863},{"id":"https://openalex.org/keywords/inverse","display_name":"Inverse","score":0.45680001378059387},{"id":"https://openalex.org/keywords/work","display_name":"Work (physics)","score":0.41670000553131104},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.41290000081062317},{"id":"https://openalex.org/keywords/equivalence","display_name":"Equivalence (formal languages)","score":0.3901999890804291},{"id":"https://openalex.org/keywords/space","display_name":"Space (punctuation)","score":0.3792000114917755}],"concepts":[{"id":"https://openalex.org/C168167062","wikidata":"https://www.wikidata.org/wiki/Q1117970","display_name":"Component (thermodynamics)","level":2,"score":0.618399977684021},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5365999937057495},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.47510001063346863},{"id":"https://openalex.org/C207467116","wikidata":"https://www.wikidata.org/wiki/Q4385666","display_name":"Inverse","level":2,"score":0.45680001378059387},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.41670000553131104},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.41290000081062317},{"id":"https://openalex.org/C2780069185","wikidata":"https://www.wikidata.org/wiki/Q7977945","display_name":"Equivalence (formal languages)","level":2,"score":0.3901999890804291},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.3792000114917755},{"id":"https://openalex.org/C201995342","wikidata":"https://www.wikidata.org/wiki/Q682496","display_name":"Systems engineering","level":1,"score":0.3693999946117401},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.36390000581741333},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.35109999775886536},{"id":"https://openalex.org/C21880701","wikidata":"https://www.wikidata.org/wiki/Q2144042","display_name":"Process engineering","level":1,"score":0.30469998717308044},{"id":"https://openalex.org/C163721339","wikidata":"https://www.wikidata.org/wiki/Q193423","display_name":"Octane rating","level":3,"score":0.2858000099658966},{"id":"https://openalex.org/C2989175659","wikidata":"https://www.wikidata.org/wiki/Q80877","display_name":"Reactor design","level":2,"score":0.272599995136261},{"id":"https://openalex.org/C135252773","wikidata":"https://www.wikidata.org/wiki/Q1567213","display_name":"Inverse problem","level":2,"score":0.26750001311302185},{"id":"https://openalex.org/C34559072","wikidata":"https://www.wikidata.org/wiki/Q2334061","display_name":"Design of experiments","level":2,"score":0.2614000141620636},{"id":"https://openalex.org/C2777466363","wikidata":"https://www.wikidata.org/wiki/Q17008971","display_name":"Design tool","level":2,"score":0.2538999915122986},{"id":"https://openalex.org/C26517878","wikidata":"https://www.wikidata.org/wiki/Q228039","display_name":"Key (lock)","level":2,"score":0.2506999969482422}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.25781/kaust-5ylza","is_oa":true,"landing_page_url":"https://doi.org/10.25781/kaust-5ylza","pdf_url":null,"source":{"id":"https://openalex.org/S7407051967","display_name":"KAUST Research Repository","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"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":"Dissertation"}],"best_oa_location":{"id":"doi:10.25781/kaust-5ylza","is_oa":true,"landing_page_url":"https://doi.org/10.25781/kaust-5ylza","pdf_url":null,"source":{"id":"https://openalex.org/S7407051967","display_name":"KAUST Research Repository","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"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":"Dissertation"},"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","score":0.4257584512233734,"id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Developing":[0],"high-performance":[1],"fuels":[2,20,275],"from":[3],"low-carbon":[4],"or":[5],"carbon-neutral":[6],"streams":[7],"can":[8],"significantly":[9],"advance":[10],"decarbonization":[11],"efforts":[12],"in":[13,68,82,86,96,246],"the":[14,30,37,56,69,74,91,153,160,194,203,222,239,270,301,316],"transportation":[15],"sector.":[16],"Given":[17],"that":[18,121,276,311],"practical":[19,329],"are":[21,102,131],"complex":[22,247],"mixtures":[23,314],"of":[24,26,34,39,58,77,93,149,155,177,196,202,217,224,241,272,285,318],"hundreds":[25],"components,":[27],"and":[28,52,137,170,189,227,233,244,295,321,328,337],"considering":[29],"highly":[31],"non-linear":[32],"nature":[33],"fuel":[35,119,173,225],"properties,":[36,183],"task":[38],"exploring":[40],"a":[41,49,65,123,214,253,283,304,334],"broad":[42],"chemical":[43,143],"space":[44,144],"for":[45,73,117,141],"potential":[46],"blendstocks":[47],"becomes":[48],"cyclical,":[50],"costly,":[51],"time-consuming":[53],"process.":[54],"In":[55],"era":[57],"matter":[59],"engineering,":[60],"inverse":[61,94],"design":[62,76,95,115,271],"has":[63],"become":[64],"vital":[66],"component":[67],"sophisticated":[70],"framework":[71,116,130,205,330],"required":[72],"rapid":[75],"fuels.":[78],"The":[79,200,264],"swift":[80],"advancements":[81],"artificial":[83],"intelligence,":[84],"particularly":[85],"machine":[87],"learning,":[88],"have":[89],"propelled":[90],"application":[92],"various":[97,292],"fields,":[98],"where":[99],"specific":[100],"properties":[101],"pre-selected":[103],"to":[104,128,208,278],"identify":[105],"suitable":[106],"new":[107],"candidates.":[108],"This":[109,175,288],"dissertation":[110,302],"introduces":[111],"an":[112,156],"inverse,":[113],"data-driven":[114],"liquid":[118,343],"formulation":[120],"employs":[122],"constrained":[124],"optimization":[125],"approach.":[126],"Central":[127],"this":[129,150],"predictive":[132],"deep":[133,297],"learning":[134,298],"(DL)":[135],"models":[136],"robust":[138],"search":[139,305],"algorithms":[140],"efficient":[142],"navigation.":[145],"A":[146],"novel":[147],"contribution":[148],"work":[151,289],"is":[152,267],"integration":[154],"algorithmic":[157],"advancement":[158],"into":[159,220],"training":[161],"loop,":[162],"directly":[163,312],"connecting":[164],"molecular":[165,293],"structures":[166],"with":[167],"mixture":[168],"representations":[169,294],"facilitating":[171],"mixture-level":[172],"screening.":[174],"level":[176],"screening":[178],"evaluates":[179],"several":[180,308],"crucial":[181],"combustion-related":[182],"including":[184],"octane":[185],"rating,":[186],"sooting":[187],"propensity,":[188],"volatility,":[190],"as":[191,193,333],"well":[192],"emissions":[195],"unburnt":[197],"hydrocarbons":[198],"(UHCs).":[199],"functionality":[201],"proposed":[204],"was":[206],"extended":[207],"screen":[209,238],"UHC":[210],"formation":[211],"trends":[212],"across":[213],"diverse":[215],"range":[216],"fuels,":[218],"taking":[219],"account":[221],"effects":[223],"composition":[226],"operating":[228],"conditions":[229],"(\\ie":[230],"pressure,":[231],"temperature,":[232],"equivalence":[234],"ratio).":[235],"To":[236],"effectively":[237],"quantities":[240],"important":[242],"intermediates":[243],"by-products":[245],"gas-phase":[248],"reactive":[249],"systems,":[250],"we":[251],"adopted":[252],"generic":[254],"one-dimensional":[255],"burner-stabilized":[256],"stagnation":[257],"flame":[258],"model":[259],"using":[260,282],"state-of-the-art":[261,296],"kinetic":[262],"mechanisms.":[263],"framework's":[265],"effectiveness":[266],"demonstrated":[268],"through":[269,307],"high-octane,":[273],"low-sooting":[274],"adhere":[277],"gasoline":[279,286],"specification":[280],"constraints,":[281],"variety":[284],"blendstocks.":[287],"also":[290],"assesses":[291],"practices.":[299],"Finally,":[300],"presents":[303],"workflow":[306],"case":[309],"studies":[310],"optimize":[313],"within":[315],"domains":[317],"fossil,":[319],"oxygenated,":[320],"synthetic":[322],"streams.":[323],"We":[324],"expect":[325],"our":[326],"simple":[327],"will":[331],"serve":[332],"solid":[335],"baseline":[336],"help":[338],"ease":[339],"future":[340],"research":[341],"designing":[342],"energy":[344],"carriers.":[345]},"counts_by_year":[],"updated_date":"2026-07-01T08:55:40.977307","created_date":"2025-10-10T00:00:00"}