{"id":"https://openalex.org/W2899690022","doi":"https://doi.org/10.1145/3281464.3281469","title":"In-transit molecular dynamics analysis with Apache flink","display_name":"In-transit molecular dynamics analysis with Apache flink","publication_year":2018,"publication_date":"2018-11-07","ids":{"openalex":"https://openalex.org/W2899690022","doi":"https://doi.org/10.1145/3281464.3281469","mag":"2899690022"},"language":"en","primary_location":{"id":"doi:10.1145/3281464.3281469","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3281464.3281469","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization","raw_type":"proceedings-article"},"type":"preprint","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://hdl.handle.net/2183/32255","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5077318821","display_name":"Henrique C. Zan\u00faz","orcid":null},"institutions":[{"id":"https://openalex.org/I899635006","display_name":"Universit\u00e9 Grenoble Alpes","ror":"https://ror.org/02rx3b187","country_code":"FR","type":"education","lineage":["https://openalex.org/I899635006"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Henrique C. Zan\u00faz","raw_affiliation_strings":["Univ. Grenoble Alpes, Grenoble, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Univ. Grenoble Alpes, Grenoble, France","institution_ids":["https://openalex.org/I899635006"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074769385","display_name":"Bruno Raffin","orcid":"https://orcid.org/0000-0002-7980-4946"},"institutions":[{"id":"https://openalex.org/I899635006","display_name":"Universit\u00e9 Grenoble Alpes","ror":"https://ror.org/02rx3b187","country_code":"FR","type":"education","lineage":["https://openalex.org/I899635006"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Bruno Raffin","raw_affiliation_strings":["Univ. Grenoble Alpes, Grenoble, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Univ. Grenoble Alpes, Grenoble, France","institution_ids":["https://openalex.org/I899635006"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067446773","display_name":"Omar A. Mures","orcid":"https://orcid.org/0000-0002-6042-3588"},"institutions":[{"id":"https://openalex.org/I11019714","display_name":"Universidade da Coru\u00f1a","ror":"https://ror.org/01qckj285","country_code":"ES","type":"education","lineage":["https://openalex.org/I11019714"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Omar A. Mures","raw_affiliation_strings":["Univ. Coru\u00f1a, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Univ. Coru\u00f1a, Spain","institution_ids":["https://openalex.org/I11019714"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5044471737","display_name":"Emilio J. Padr\u00f3n","orcid":"https://orcid.org/0000-0002-6864-3737"},"institutions":[{"id":"https://openalex.org/I11019714","display_name":"Universidade da Coru\u00f1a","ror":"https://ror.org/01qckj285","country_code":"ES","type":"education","lineage":["https://openalex.org/I11019714"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Emilio J. Padr\u00f3n","raw_affiliation_strings":["Univ. Coru\u00f1a, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Univ. Coru\u00f1a, Spain","institution_ids":["https://openalex.org/I11019714"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":1.2339,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.86428492,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"25","last_page":"32"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10101","display_name":"Cloud Computing and Resource Management","score":0.9969000220298767,"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":0.9969000220298767,"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/T11986","display_name":"Scientific Computing and Data Management","score":0.9957000017166138,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T11181","display_name":"Advanced Data Storage Technologies","score":0.9914000034332275,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8701345920562744},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.7461020946502686},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.6853410005569458},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.6689279675483704},{"id":"https://openalex.org/keywords/leverage","display_name":"Leverage (statistics)","score":0.621658205986023},{"id":"https://openalex.org/keywords/software-deployment","display_name":"Software deployment","score":0.560601532459259},{"id":"https://openalex.org/keywords/analytics","display_name":"Analytics","score":0.5413275957107544},{"id":"https://openalex.org/keywords/big-data","display_name":"Big data","score":0.4701904058456421},{"id":"https://openalex.org/keywords/load-balancing","display_name":"Load balancing (electrical power)","score":0.4701317250728607},{"id":"https://openalex.org/keywords/testbed","display_name":"Testbed","score":0.46072059869766235},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.44273367524147034},{"id":"https://openalex.org/keywords/programming-paradigm","display_name":"Programming paradigm","score":0.4149690270423889},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.26484864950180054},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.2193939983844757},{"id":"https://openalex.org/keywords/computer-network","display_name":"Computer network","score":0.13384559750556946},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.11862936615943909}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8701345920562744},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7461020946502686},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.6853410005569458},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.6689279675483704},{"id":"https://openalex.org/C153083717","wikidata":"https://www.wikidata.org/wiki/Q6535263","display_name":"Leverage (statistics)","level":2,"score":0.621658205986023},{"id":"https://openalex.org/C105339364","wikidata":"https://www.wikidata.org/wiki/Q2297740","display_name":"Software deployment","level":2,"score":0.560601532459259},{"id":"https://openalex.org/C79158427","wikidata":"https://www.wikidata.org/wiki/Q485396","display_name":"Analytics","level":2,"score":0.5413275957107544},{"id":"https://openalex.org/C75684735","wikidata":"https://www.wikidata.org/wiki/Q858810","display_name":"Big data","level":2,"score":0.4701904058456421},{"id":"https://openalex.org/C138959212","wikidata":"https://www.wikidata.org/wiki/Q1806783","display_name":"Load balancing (electrical power)","level":3,"score":0.4701317250728607},{"id":"https://openalex.org/C31395832","wikidata":"https://www.wikidata.org/wiki/Q1318674","display_name":"Testbed","level":2,"score":0.46072059869766235},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.44273367524147034},{"id":"https://openalex.org/C34165917","wikidata":"https://www.wikidata.org/wiki/Q188267","display_name":"Programming paradigm","level":2,"score":0.4149690270423889},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.26484864950180054},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.2193939983844757},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.13384559750556946},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.11862936615943909},{"id":"https://openalex.org/C187691185","wikidata":"https://www.wikidata.org/wiki/Q2020720","display_name":"Grid","level":2,"score":0.0},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1145/3281464.3281469","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3281464.3281469","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization","raw_type":"proceedings-article"},{"id":"pmh:oai:HAL:hal-01889939v1","is_oa":false,"landing_page_url":"https://inria.hal.science/hal-01889939","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ISAV 2018 - In Situ Infrastructures for Enabling Extreme-scale Analysis and Visualization, Nov 2018, DALLAS, United States. pp.1-8","raw_type":"Conference papers"},{"id":"pmh:oai:ruc.udc.es:2183/32255","is_oa":true,"landing_page_url":"http://hdl.handle.net/2183/32255","pdf_url":null,"source":{"id":"https://openalex.org/S4306402204","display_name":"RUC (Universidade Da Coru\u00f1a)","issn_l":null,"issn":null,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/conferenceObject"}],"best_oa_location":{"id":"pmh:oai:ruc.udc.es:2183/32255","is_oa":true,"landing_page_url":"http://hdl.handle.net/2183/32255","pdf_url":null,"source":{"id":"https://openalex.org/S4306402204","display_name":"RUC (Universidade Da Coru\u00f1a)","issn_l":null,"issn":null,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/conferenceObject"},"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","score":0.47999998927116394,"id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":1,"referenced_works":["https://openalex.org/W2041143538"],"related_works":["https://openalex.org/W2883256816","https://openalex.org/W2171408034","https://openalex.org/W3003320923","https://openalex.org/W2106140982","https://openalex.org/W2152313554","https://openalex.org/W2064303750","https://openalex.org/W1509300825","https://openalex.org/W3092582874","https://openalex.org/W2338718585","https://openalex.org/W2019038080"],"abstract_inverted_index":{"In":[0,67],"this":[1,68,87,148,173],"paper,":[2],"an":[3,124,189],"on-line":[4,199],"parallel":[5,45,200],"analytics":[6,121,160,201],"framework":[7],"is":[8],"proposed":[9],"to":[10,72,92,127,131,137,196],"process":[11],"and":[12,40,57,112,130,151,191],"store":[13],"in":[14,31,86,119,161,184,202],"transit":[15,120],"all":[16,139],"the":[17,32,36,82,103,108,140,145,162,170,185],"data":[18,55],"being":[19],"generated":[20],"by":[21],"a":[22,44,62,76,96,117,132],"Molecular":[23],"Dynamics":[24],"(MD)":[25],"simulation":[26,126],"run":[27],"using":[28],"staging":[29],"nodes":[30],"same":[33],"cluster":[34],"executing":[35],"simulation.":[37],"The":[38],"implementation":[39],"deployment":[41],"of":[42,107,147,172,181],"such":[43,53],"workflow":[46],"with":[47],"standard":[48],"HPC":[49,88,155],"tools,":[50],"managing":[51],"problems":[52],"as":[54],"partitioning":[56],"load":[58,110],"balancing,":[59],"can":[60,178],"be":[61],"hard":[63],"task":[64],"for":[65,154,194],"scientists.":[66],"paper":[69],"we":[70],"propose":[71],"leverage":[73],"Apache":[74,128,135],"Flink,":[75],"scalable":[77],"stream":[78],"processing":[79],"engine":[80],"from":[81],"Big":[83],"Data":[84],"domain,":[85],"context.":[89],"Flink":[90,129],"enables":[91],"program":[93],"analyses":[94],"within":[95],"simple":[97],"window":[98],"based":[99],"map/reduce":[100],"model,":[101],"while":[102,187],"runtime":[104],"takes":[105],"care":[106],"deployment,":[109],"balancing":[111],"fault":[113],"tolerance.":[114],"We":[115,168],"build":[116],"complete":[118],"workflow,":[122],"connecting":[123],"MD":[125,163],"distributed":[133],"database,":[134],"HBase,":[136],"persist":[138],"desired":[141],"data.":[142],"To":[143],"demonstrate":[144],"expressivity":[146],"programming":[149],"model":[150],"its":[152],"suitability":[153],"scientific":[156],"environments,":[157],"two":[158],"common":[159],"field":[164],"have":[165],"been":[166],"implemented.":[167],"assessed":[169],"performance":[171],"framework,":[174],"concluding":[175],"that":[176],"it":[177],"handle":[179],"simulations":[180],"sizes":[182],"used":[183],"literature":[186],"providing":[188],"effective":[190],"versatile":[192],"tool":[193],"scientists":[195],"easily":[197],"incorporate":[198],"their":[203],"current":[204],"workflows.":[205]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}