{"id":"https://openalex.org/W2112186427","doi":"https://doi.org/10.1109/ipdpsw.2010.5470760","title":"Enhancing adaptive middleware for quantum chemistry applications with a database framework","display_name":"Enhancing adaptive middleware for quantum chemistry applications with a database framework","publication_year":2010,"publication_date":"2010-04-01","ids":{"openalex":"https://openalex.org/W2112186427","doi":"https://doi.org/10.1109/ipdpsw.2010.5470760","mag":"2112186427"},"language":"en","primary_location":{"id":"doi:10.1109/ipdpsw.2010.5470760","is_oa":false,"landing_page_url":"https://doi.org/10.1109/ipdpsw.2010.5470760","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 IEEE International Symposium on Parallel &amp; Distributed Processing, Workshops and Phd Forum (IPDPSW)","raw_type":"proceedings-article"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5067193769","display_name":"Lakshminarasimhan Seshagiri","orcid":null},"institutions":[{"id":"https://openalex.org/I2802789608","display_name":"Ames National Laboratory","ror":"https://ror.org/041m9xr71","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I173911158","https://openalex.org/I2802789608","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lakshminarasimhan Seshagiri","raw_affiliation_strings":["Scalable Computing Laboratory, Ames Laboratory, Ames, IA, USA","Scalable Computing Laboratory, Ames Laboratory, IA 50011 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Scalable Computing Laboratory, Ames Laboratory, Ames, IA, USA","institution_ids":["https://openalex.org/I2802789608"]},{"raw_affiliation_string":"Scalable Computing Laboratory, Ames Laboratory, IA 50011 USA","institution_ids":["https://openalex.org/I2802789608"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045919332","display_name":"Meng-Shiou Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I2802789608","display_name":"Ames National Laboratory","ror":"https://ror.org/041m9xr71","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I173911158","https://openalex.org/I2802789608","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Meng-Shiou Wu","raw_affiliation_strings":["Scalable Computing Laboratory, Ames Laboratory, Ames, IA, USA","Scalable Computing Laboratory, Ames Laboratory, IA 50011 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Scalable Computing Laboratory, Ames Laboratory, Ames, IA, USA","institution_ids":["https://openalex.org/I2802789608"]},{"raw_affiliation_string":"Scalable Computing Laboratory, Ames Laboratory, IA 50011 USA","institution_ids":["https://openalex.org/I2802789608"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090093092","display_name":"Masha Sosonkina","orcid":"https://orcid.org/0009-0005-0223-397X"},"institutions":[{"id":"https://openalex.org/I2802789608","display_name":"Ames National Laboratory","ror":"https://ror.org/041m9xr71","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I173911158","https://openalex.org/I2802789608","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Masha Sosonkina","raw_affiliation_strings":["Scalable Computing Laboratory, Ames Laboratory, Ames, IA, USA","Scalable Computing Laboratory, Ames Laboratory, IA 50011 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Scalable Computing Laboratory, Ames Laboratory, Ames, IA, USA","institution_ids":["https://openalex.org/I2802789608"]},{"raw_affiliation_string":"Scalable Computing Laboratory, Ames Laboratory, IA 50011 USA","institution_ids":["https://openalex.org/I2802789608"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100423006","display_name":"Zhao Zhang","orcid":"https://orcid.org/0000-0002-0862-1093"},"institutions":[{"id":"https://openalex.org/I173911158","display_name":"Iowa State University","ror":"https://ror.org/04rswrd78","country_code":"US","type":"education","lineage":["https://openalex.org/I173911158"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhao Zhang","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Iowa State University, Ames, IA, USA","Department of Electrical & Computer Engineering, Iowa State University, Ames, 50011 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Iowa State University, Ames, IA, USA","institution_ids":["https://openalex.org/I173911158"]},{"raw_affiliation_string":"Department of Electrical & Computer Engineering, Iowa State University, Ames, 50011 USA","institution_ids":["https://openalex.org/I173911158"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036545977","display_name":"Mark S. Gordon","orcid":"https://orcid.org/0000-0003-2371-1318"},"institutions":[{"id":"https://openalex.org/I173911158","display_name":"Iowa State University","ror":"https://ror.org/04rswrd78","country_code":"US","type":"education","lineage":["https://openalex.org/I173911158"]},{"id":"https://openalex.org/I2802789608","display_name":"Ames National Laboratory","ror":"https://ror.org/041m9xr71","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I173911158","https://openalex.org/I2802789608","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mark S. Gordon","raw_affiliation_strings":["Department of Chemistry and Ames Laboratory, Iowa State University, Ames, IA, USA","Department of Chemistry and Ames Laboratory, Iowa State University, Ames 50011, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Ames Laboratory, Iowa State University, Ames, IA, USA","institution_ids":["https://openalex.org/I173911158","https://openalex.org/I2802789608"]},{"raw_affiliation_string":"Department of Chemistry and Ames Laboratory, Iowa State University, Ames 50011, USA","institution_ids":["https://openalex.org/I173911158","https://openalex.org/I2802789608"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060703811","display_name":"Michael W. Schmidt","orcid":"https://orcid.org/0000-0002-7227-0646"},"institutions":[{"id":"https://openalex.org/I173911158","display_name":"Iowa State University","ror":"https://ror.org/04rswrd78","country_code":"US","type":"education","lineage":["https://openalex.org/I173911158"]},{"id":"https://openalex.org/I2802789608","display_name":"Ames National Laboratory","ror":"https://ror.org/041m9xr71","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I173911158","https://openalex.org/I2802789608","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael W. Schmidt","raw_affiliation_strings":["Department of Chemistry and Ames Laboratory, Iowa State University, Ames, IA, USA","Department of Chemistry and Ames Laboratory, Iowa State University, Ames 50011, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Ames Laboratory, Iowa State University, Ames, IA, USA","institution_ids":["https://openalex.org/I173911158","https://openalex.org/I2802789608"]},{"raw_affiliation_string":"Department of Chemistry and Ames Laboratory, Iowa State University, Ames 50011, USA","institution_ids":["https://openalex.org/I173911158","https://openalex.org/I2802789608"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":"3732","issue":null,"first_page":"1","last_page":"8"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10101","display_name":"Cloud Computing and Resource Management","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/1710","display_name":"Information Systems"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10101","display_name":"Cloud Computing and Resource Management","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/1710","display_name":"Information Systems"},"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/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9937000274658203,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"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/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9879999756813049,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8902758359909058},{"id":"https://openalex.org/keywords/sort","display_name":"sort","score":0.6562795042991638},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.5795170664787292},{"id":"https://openalex.org/keywords/middleware","display_name":"Middleware (distributed applications)","score":0.5755087733268738},{"id":"https://openalex.org/keywords/bandwidth","display_name":"Bandwidth (computing)","score":0.4802665710449219},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.4741891324520111},{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.4366753101348877},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.2758275270462036},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.266660213470459},{"id":"https://openalex.org/keywords/computer-network","display_name":"Computer network","score":0.1817454695701599},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.09984523057937622}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8902758359909058},{"id":"https://openalex.org/C88548561","wikidata":"https://www.wikidata.org/wiki/Q347599","display_name":"sort","level":2,"score":0.6562795042991638},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.5795170664787292},{"id":"https://openalex.org/C169468491","wikidata":"https://www.wikidata.org/wiki/Q146923","display_name":"Middleware (distributed applications)","level":2,"score":0.5755087733268738},{"id":"https://openalex.org/C2776257435","wikidata":"https://www.wikidata.org/wiki/Q1576430","display_name":"Bandwidth (computing)","level":2,"score":0.4802665710449219},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.4741891324520111},{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.4366753101348877},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.2758275270462036},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.266660213470459},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.1817454695701599},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.09984523057937622}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/ipdpsw.2010.5470760","is_oa":false,"landing_page_url":"https://doi.org/10.1109/ipdpsw.2010.5470760","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 IEEE International Symposium on Parallel &amp; Distributed Processing, Workshops and Phd Forum (IPDPSW)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":20,"referenced_works":["https://openalex.org/W565139703","https://openalex.org/W1498986907","https://openalex.org/W1504770578","https://openalex.org/W1528914151","https://openalex.org/W1919589416","https://openalex.org/W1992716205","https://openalex.org/W1996846370","https://openalex.org/W2022740893","https://openalex.org/W2022950330","https://openalex.org/W2025793956","https://openalex.org/W2079604487","https://openalex.org/W2109569003","https://openalex.org/W2120901082","https://openalex.org/W2131608881","https://openalex.org/W2140878174","https://openalex.org/W2145359546","https://openalex.org/W2151220474","https://openalex.org/W2166210624","https://openalex.org/W4285719527","https://openalex.org/W6676817988"],"related_works":["https://openalex.org/W2384867379","https://openalex.org/W4400094300","https://openalex.org/W2329539859","https://openalex.org/W2227905990","https://openalex.org/W2765823764","https://openalex.org/W3214280620","https://openalex.org/W3191490922","https://openalex.org/W2794038527","https://openalex.org/W2327638088","https://openalex.org/W2151092287"],"abstract_inverted_index":{"Quantum":[0],"chemistry":[1],"applications":[2,71],"such":[3,79],"as":[4,190],"the":[5,33,42,49,52,65,142,185],"General":[6],"Atomic":[7],"and":[8,60,110,170],"Molecular":[9],"Electronic":[10],"Structure":[11],"System":[12],"(GAMESS)":[13],"that":[14,31,77,120],"can":[15,158],"execute":[16],"on":[17,126,154,167],"a":[18,25,73,127,171],"complex":[19],"peta-scale":[20],"parallel":[21,74],"computing":[22,75],"environment":[23,76],"has":[24,164,174,181],"large":[26],"number":[27],"of":[28,54,70,84,91,123,144],"input":[29,43,66,151],"parameters":[30,152],"affect":[32],"overall":[34],"performance.":[35,135],"The":[36,161],"application":[37,134,156,162],"characteristics":[38],"vary":[39],"according":[40,63],"to":[41,48,64,87,132,148,191],"parameters.":[44,67],"This":[45,130],"is":[46],"due":[47],"difference":[50],"in":[51,72,146,184],"usage":[53,90],"resources":[55,80],"like":[56],"network":[57],"bandwidth,":[58],"I/O":[59],"main":[61],"memory,":[62],"Effective":[68],"execution":[69,122],"share":[78],"require":[81],"some":[82],"sort":[83],"adaptive":[85,104],"mechanism":[86,188],"enable":[88],"efficient":[89],"these":[92],"resources.":[93],"In":[94,136],"our":[95],"previous":[96],"work,":[97],"we":[98,139],"have":[99,140],"integrated":[100],"GAMESS":[101,124],"with":[102],"an":[103],"middleware":[105],"NICAN":[106,145,187],"(Network":[107],"Information":[108],"Conveyer":[109],"Application":[111],"Notification)":[112],"for":[113],"dynamic":[114],"adaptations":[115],"during":[116],"heavy":[117],"load":[118],"conditions":[119],"modify":[121],"computations":[125],"per-iteration":[128],"basis.":[129],"leads":[131],"better":[133],"this":[137,193],"research,":[138],"expanded":[141],"structure":[143],"order":[147],"include":[149],"other":[150],"based":[153],"which":[155],"performance":[157,163],"be":[159],"controlled.":[160],"been":[165,175,182],"analyzed":[166],"different":[168],"architectures":[169],"tuning":[172,194],"strategy":[173],"identified.":[176],"A":[177],"generic":[178],"database":[179],"framework":[180],"incorporated":[183],"existing":[186],"so":[189],"aid":[192],"strategy.":[195]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-07-14T23:27:15.235271","created_date":"2025-10-10T00:00:00"}
