{"id":"https://openalex.org/W2172043048","doi":"https://doi.org/10.1145/2484762.2484830","title":"A framework for flexible and scalable replica-exchange on production distributed CI","display_name":"A framework for flexible and scalable replica-exchange on production distributed CI","publication_year":2013,"publication_date":"2013-07-22","ids":{"openalex":"https://openalex.org/W2172043048","doi":"https://doi.org/10.1145/2484762.2484830","mag":"2172043048"},"language":"en","primary_location":{"id":"doi:10.1145/2484762.2484830","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2484762.2484830","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Conference on Extreme Science and Engineering Discovery Environment: Gateway to Discovery","raw_type":"proceedings-article"},"type":"article","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/A5089169254","display_name":"Brian K. Radak","orcid":"https://orcid.org/0000-0001-8628-5972"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Brian K. Radak","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041621508","display_name":"Melissa Romanus","orcid":"https://orcid.org/0000-0001-9461-4828"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Melissa Romanus","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060590757","display_name":"Emilio Gallicchio","orcid":"https://orcid.org/0000-0002-2606-4913"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Emilio Gallicchio","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029666960","display_name":"Tai\u2010Sung Lee","orcid":"https://orcid.org/0000-0003-2110-2279"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tai-Sung Lee","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025636909","display_name":"Ole Weidner","orcid":null},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ole Weidner","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086612605","display_name":"Nanjie Deng","orcid":"https://orcid.org/0000-0001-8805-3526"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nan-Jie Deng","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100688268","display_name":"Peng He","orcid":"https://orcid.org/0000-0003-2934-0044"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Peng He","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101839523","display_name":"Wei Dai","orcid":"https://orcid.org/0000-0003-3032-3399"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wei Dai","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076436548","display_name":"Darrin M. York","orcid":"https://orcid.org/0000-0002-9193-7055"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Darrin M. York","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033874771","display_name":"Ronald M. Levy","orcid":"https://orcid.org/0000-0001-8696-5177"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ronald M. Levy","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038763846","display_name":"Shantenu Jha","orcid":"https://orcid.org/0000-0002-5040-026X"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shantenu Jha","raw_affiliation_strings":["Rutgers University, Piscataway, NJ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rutgers University, Piscataway, NJ","institution_ids":["https://openalex.org/I102322142"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":11,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":1.8863,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.8814138,"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":"1","last_page":"8"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11181","display_name":"Advanced Data Storage Technologies","score":0.9993000030517578,"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"}},"topics":[{"id":"https://openalex.org/T11181","display_name":"Advanced Data Storage Technologies","score":0.9993000030517578,"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":0.993399977684021,"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/T11986","display_name":"Scientific Computing and Data Management","score":0.993399977684021,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/replica","display_name":"Replica","score":0.9528921842575073},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8634617924690247},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.8120321035385132},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.748155951499939},{"id":"https://openalex.org/keywords/overhead","display_name":"Overhead (engineering)","score":0.6787126064300537},{"id":"https://openalex.org/keywords/cyberinfrastructure","display_name":"Cyberinfrastructure","score":0.6480799317359924},{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.46928131580352783},{"id":"https://openalex.org/keywords/range","display_name":"Range (aeronautics)","score":0.433284193277359},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.09815540909767151}],"concepts":[{"id":"https://openalex.org/C2775937380","wikidata":"https://www.wikidata.org/wiki/Q1232589","display_name":"Replica","level":2,"score":0.9528921842575073},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8634617924690247},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.8120321035385132},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.748155951499939},{"id":"https://openalex.org/C2779960059","wikidata":"https://www.wikidata.org/wiki/Q7113681","display_name":"Overhead (engineering)","level":2,"score":0.6787126064300537},{"id":"https://openalex.org/C2776397876","wikidata":"https://www.wikidata.org/wiki/Q1450531","display_name":"Cyberinfrastructure","level":2,"score":0.6480799317359924},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.46928131580352783},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.433284193277359},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.09815540909767151},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"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/C153349607","wikidata":"https://www.wikidata.org/wiki/Q36649","display_name":"Visual arts","level":1,"score":0.0},{"id":"https://openalex.org/C142362112","wikidata":"https://www.wikidata.org/wiki/Q735","display_name":"Art","level":0,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/2484762.2484830","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2484762.2484830","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Conference on Extreme Science and Engineering Discovery Environment: Gateway to Discovery","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.41999998688697815,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[{"id":"https://openalex.org/G7201058282","display_name":null,"funder_award_id":"CHE-1125332, OCI-1007115","funder_id":"https://openalex.org/F4320337377","funder_display_name":"Office of Advanced Cyberinfrastructure"},{"id":"https://openalex.org/G816303910","display_name":null,"funder_award_id":"CHE-1125332, OCI-1007115","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320337377","display_name":"Office of Advanced Cyberinfrastructure","ror":"https://ror.org/04nh1dc89"},{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":23,"referenced_works":["https://openalex.org/W1973235682","https://openalex.org/W1977234725","https://openalex.org/W1980378152","https://openalex.org/W1982306719","https://openalex.org/W1991329443","https://openalex.org/W1993883578","https://openalex.org/W1996433191","https://openalex.org/W2001150554","https://openalex.org/W2022548331","https://openalex.org/W2034837534","https://openalex.org/W2042854825","https://openalex.org/W2052333235","https://openalex.org/W2061844749","https://openalex.org/W2067669378","https://openalex.org/W2072355510","https://openalex.org/W2074225530","https://openalex.org/W2081741195","https://openalex.org/W2099340616","https://openalex.org/W2151413338","https://openalex.org/W2158671176","https://openalex.org/W2328082688","https://openalex.org/W2951552072","https://openalex.org/W3102529165"],"related_works":["https://openalex.org/W3008699647","https://openalex.org/W2122589784","https://openalex.org/W2760372971","https://openalex.org/W1982914007","https://openalex.org/W2159583675","https://openalex.org/W1852113167","https://openalex.org/W1493858311","https://openalex.org/W1824242903","https://openalex.org/W2155470929","https://openalex.org/W2394465510"],"abstract_inverted_index":{"Replica":[0],"exchange":[1,181],"represents":[2,23,201],"a":[3,16,24,34,42,49,72,137,167],"powerful":[4],"class":[5],"of":[6,18,26,31,66,81,118,129,139,142,149,179,204],"algorithms":[7],"used":[8],"for":[9],"enhanced":[10],"configurational":[11],"and":[12,100,133,213],"energetic":[13],"sampling":[14],"in":[15,64,89],"range":[17],"physical":[19],"systems.":[20],"Computationally":[21],"it":[22,93],"type":[25],"application":[27],"with":[28,41,55],"multiple":[29],"scales":[30],"communication.":[32],"At":[33,48],"fine-grained":[35],"level":[36],"there":[37,156],"is":[38,87,101,121],"often":[39],"communication":[40,132],"replica,":[43],"typically":[44],"an":[45],"MPI":[46],"process.":[47],"coarse-grained":[50],"level,":[51],"the":[52,78,90,104,119,130,140,147,172,177,202,205,208],"replicas":[53,57,99,151],"communicate":[54],"other":[56],"--":[58,108],"both":[59],"temporally":[60],"as":[61,63,136,189,191,193],"well":[62,192],"amount":[65],"data":[67],"exchanged.":[68],"This":[69,198],"paper":[70,199],"outlines":[71],"novel":[73,195],"framework":[74,86,120,145,206],"developed":[75],"to":[76,103,174,207],"support":[77,194],"flexible":[79,88],"execution":[80,148],"large-scale":[82],"replica":[83,180],"exchange.":[84],"The":[85,116],"sense":[91],"that":[92,161],"supports":[94,146],"different":[95],"coupling":[96],"schemes":[97],"between":[98],"agnostic":[102],"specific":[105,159],"underlying":[106],"simulation":[107,125,211],"classical":[109],"or":[110,113],"quantum,":[111],"serial":[112],"parallel":[114],"simulation.":[115],"scalability":[117],"assessed":[122],"using":[123],"standard":[124],"benchmarks.":[126],"In":[127],"spite":[128],"increasing":[131],"coordination":[134],"requirements":[135],"function":[138],"number":[141],"replicas,":[143],"our":[144],"hundreds":[150],"without":[152],"significant":[153],"overhead.":[154],"Although":[155],"are":[157],"several":[158],"aspects":[160],"will":[162],"benefit":[163],"from":[164],"further":[165],"optimization,":[166],"first":[168],"working":[169],"prototype":[170],"has":[171],"ability":[173],"fundamentally":[175],"change":[176],"scale":[178],"simulations":[182],"possible":[183],"on":[184,216],"production":[185],"distributed":[186],"cyberinfrastructure":[187],"such":[188],"XSEDE,":[190],"usage":[196],"modes.":[197],"also":[200],"release":[203],"broader":[209],"biophysical":[210],"community":[212],"provides":[214],"details":[215],"its":[217],"usage.":[218]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":4}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
