{"id":"https://openalex.org/W2746733957","doi":"https://doi.org/10.1109/sc.2016.59","title":"Optimal Execution of Co-analysis for Large-Scale Molecular Dynamics Simulations","display_name":"Optimal Execution of Co-analysis for Large-Scale Molecular Dynamics Simulations","publication_year":2016,"publication_date":"2016-11-01","ids":{"openalex":"https://openalex.org/W2746733957","doi":"https://doi.org/10.1109/sc.2016.59","mag":"2746733957"},"language":"en","primary_location":{"id":"doi:10.1109/sc.2016.59","is_oa":false,"landing_page_url":"https://doi.org/10.1109/sc.2016.59","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"SC16: International Conference for High Performance Computing, Networking, Storage and Analysis","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/A5082548228","display_name":"Preeti Malakar","orcid":"https://orcid.org/0000-0002-7038-8712"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Preeti Malakar","raw_affiliation_strings":["Argonne National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Argonne National Laboratory","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075500139","display_name":"Venkatram Vishwanath","orcid":"https://orcid.org/0000-0001-7248-6116"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Venkatram Vishwanath","raw_affiliation_strings":["Argonne National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Argonne National Laboratory","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060995859","display_name":"Chris Knight","orcid":"https://orcid.org/0000-0001-8432-0658"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christopher Knight","raw_affiliation_strings":["Argonne National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Argonne National Laboratory","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086190700","display_name":"Todd Munson","orcid":"https://orcid.org/0000-0002-0030-3648"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Todd Munson","raw_affiliation_strings":["Argonne National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Argonne National Laboratory","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5010928934","display_name":"Michael E. Papka","orcid":"https://orcid.org/0000-0002-6418-5767"},"institutions":[{"id":"https://openalex.org/I102502594","display_name":"Northern Illinois University","ror":"https://ror.org/012wxa772","country_code":"US","type":"education","lineage":["https://openalex.org/I102502594"]},{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael E. Papka","raw_affiliation_strings":["Argonne National Laboratory","Northern Illinois University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Argonne National Laboratory","institution_ids":["https://openalex.org/I1282105669"]},{"raw_affiliation_string":"Northern Illinois University","institution_ids":["https://openalex.org/I102502594"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":1.3447,"has_fulltext":false,"cited_by_count":24,"citation_normalized_percentile":{"value":0.79882237,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":null,"issue":null,"first_page":"702","last_page":"715"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9994000196456909,"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"}},"topics":[{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9994000196456909,"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"}},{"id":"https://openalex.org/T11181","display_name":"Advanced Data Storage Technologies","score":0.9991999864578247,"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/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9976000189781189,"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":0.8213951587677002},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.7264047265052795},{"id":"https://openalex.org/keywords/bandwidth","display_name":"Bandwidth (computing)","score":0.6538991332054138},{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.4687614142894745},{"id":"https://openalex.org/keywords/frequency-analysis","display_name":"Frequency analysis","score":0.42390909790992737},{"id":"https://openalex.org/keywords/resource","display_name":"Resource (disambiguation)","score":0.4201369285583496},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.39127716422080994},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.33544033765792847},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.23264622688293457}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8213951587677002},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.7264047265052795},{"id":"https://openalex.org/C2776257435","wikidata":"https://www.wikidata.org/wiki/Q1576430","display_name":"Bandwidth (computing)","level":2,"score":0.6538991332054138},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.4687614142894745},{"id":"https://openalex.org/C97118885","wikidata":"https://www.wikidata.org/wiki/Q565636","display_name":"Frequency analysis","level":2,"score":0.42390909790992737},{"id":"https://openalex.org/C206345919","wikidata":"https://www.wikidata.org/wiki/Q20380951","display_name":"Resource (disambiguation)","level":2,"score":0.4201369285583496},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.39127716422080994},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.33544033765792847},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.23264622688293457},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/sc.2016.59","is_oa":false,"landing_page_url":"https://doi.org/10.1109/sc.2016.59","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"SC16: International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":40,"referenced_works":["https://openalex.org/W1539749946","https://openalex.org/W1581112758","https://openalex.org/W1969851719","https://openalex.org/W1974534679","https://openalex.org/W1980853116","https://openalex.org/W1983915714","https://openalex.org/W1998513618","https://openalex.org/W2005543816","https://openalex.org/W2019465613","https://openalex.org/W2028443395","https://openalex.org/W2028705462","https://openalex.org/W2029777514","https://openalex.org/W2043337814","https://openalex.org/W2051075107","https://openalex.org/W2051485593","https://openalex.org/W2063368677","https://openalex.org/W2078528030","https://openalex.org/W2095954861","https://openalex.org/W2098638772","https://openalex.org/W2101778912","https://openalex.org/W2108648154","https://openalex.org/W2113913767","https://openalex.org/W2115247641","https://openalex.org/W2140559445","https://openalex.org/W2154192133","https://openalex.org/W2166020518","https://openalex.org/W2170656173","https://openalex.org/W2170711116","https://openalex.org/W2177227417","https://openalex.org/W2258963578","https://openalex.org/W2346425402","https://openalex.org/W2505968561","https://openalex.org/W2786741601","https://openalex.org/W2952701590","https://openalex.org/W4238102692","https://openalex.org/W4250589301","https://openalex.org/W6634678291","https://openalex.org/W6685733532","https://openalex.org/W6692595670","https://openalex.org/W6704791817"],"related_works":["https://openalex.org/W2046435967","https://openalex.org/W4231775656","https://openalex.org/W2383646825","https://openalex.org/W2371018915","https://openalex.org/W2354191502","https://openalex.org/W1972225038","https://openalex.org/W3134658850","https://openalex.org/W1969582418","https://openalex.org/W1429949169","https://openalex.org/W2031615960"],"abstract_inverted_index":{"The":[0,43],"analysis":[1,15,70,123],"of":[2,16,66,74,100,121,136],"scientific":[3],"simulation":[4,18,30],"data":[5,67,116],"enables":[6],"scientists":[7],"to":[8,49],"derive":[9],"insights":[10],"from":[11],"their":[12],"simulations.":[13],"This":[14],"the":[17,24,29,32,63,72,76,79,122,130,134,144],"output":[19,45],"can":[20,36],"be":[21,37],"performed":[22],"at":[23,39],"same":[25,33],"execution":[26],"site":[27],"as":[28,84,112],"using":[31,139],"resources":[34],"or":[35],"done":[38],"a":[40,58],"different":[41],"site.":[42],"optimal":[44,64],"frequency":[46,65,126],"is":[47,52],"challenging":[48],"decide":[50],"and":[51,71,91,104,117,124,146],"often":[53],"chosen":[54],"empirically.":[55],"We":[56,94,106,132],"propose":[57,95],"mathematical":[59],"formulation":[60],"for":[61,69,97,128],"choosing":[62],"transfer":[68],"feasibility":[73],"performing":[75,129],"analysis,":[77],"under":[78],"given":[80],"resource":[81],"constraints":[82],"such":[83,111],"network":[85],"bandwidth,":[86],"disk":[87],"space,":[88],"available":[89],"memory,":[90],"computation":[92,113],"time.":[93],"formulations":[96],"two":[98],"cases":[99],"co-analysis":[101],"-":[102],"local":[103],"remote.":[105],"consider":[107],"various":[108],"analyses":[109],"features":[110],"time,":[114],"input":[115],"memory":[118],"requirement,":[119],"importance":[120],"minimum":[125],"required":[127],"analysis.":[131],"demonstrate":[133],"effectiveness":[135],"our":[137],"approach":[138],"molecular":[140],"dynamics":[141],"applications":[142],"on":[143],"Mira":[145],"Edison":[147],"supercomputers.":[148]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":2}],"updated_date":"2026-07-29T14:22:42.915294","created_date":"2025-10-10T00:00:00"}