{"id":"https://openalex.org/W1508492444","doi":"https://doi.org/10.1007/11557265_55","title":"Probing the Applicability of Polarizable Force-Field Molecular Dynamics for Parallel Architectures: A Comparison of Digital MPI with LAM-MPI and MPICH2","display_name":"Probing the Applicability of Polarizable Force-Field Molecular Dynamics for Parallel Architectures: A Comparison of Digital MPI with LAM-MPI and MPICH2","publication_year":2005,"publication_date":"2005-01-01","ids":{"openalex":"https://openalex.org/W1508492444","doi":"https://doi.org/10.1007/11557265_55","mag":"1508492444"},"language":"en","primary_location":{"id":"doi:10.1007/11557265_55","is_oa":false,"landing_page_url":"https://doi.org/10.1007/11557265_55","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"book-chapter","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/A5028916764","display_name":"Benjamin Almeida","orcid":null},"institutions":[{"id":"https://openalex.org/I4210155630","display_name":"Novartis (Austria)","ror":"https://ror.org/04t24x986","country_code":"AT","type":"company","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4210155630"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Benjamin Almeida","raw_affiliation_strings":["Novartis Institutes for BioMedical Research, IK@N Operations and In Silico Sciences, Brunnerstra\u00dfe 59, A-1235, Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"Novartis Institutes for BioMedical Research, IK@N Operations and In Silico Sciences, Brunnerstra\u00dfe 59, A-1235, Vienna, Austria","institution_ids":["https://openalex.org/I4210155630"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109564817","display_name":"Reema Mahajan","orcid":null},"institutions":[{"id":"https://openalex.org/I68891433","display_name":"Indian Institute of Technology Delhi","ror":"https://ror.org/049tgcd06","country_code":"IN","type":"education","lineage":["https://openalex.org/I68891433"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Reema Mahajan","raw_affiliation_strings":["Department of Chemical Engineering, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi, 16, India"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi, 16, India","institution_ids":["https://openalex.org/I68891433"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055672826","display_name":"Dieter Kranzlm\u00fcller","orcid":null},"institutions":[{"id":"https://openalex.org/I121883995","display_name":"Johannes Kepler University of Linz","ror":"https://ror.org/052r2xn60","country_code":"AT","type":"education","lineage":["https://openalex.org/I121883995"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Dieter Kranzlm\u00fcller","raw_affiliation_strings":["GUP, Institute of Graphics and Parallel Processing, Johannes Kepler University, Altenbergerstra\u00dfe 69, A-4040, Linz, Austria","Joh Kepler University Linz, Altenberger Stra\u00dfe 69, A-4040, Linz, Austria"],"affiliations":[{"raw_affiliation_string":"GUP, Institute of Graphics and Parallel Processing, Johannes Kepler University, Altenbergerstra\u00dfe 69, A-4040, Linz, Austria","institution_ids":["https://openalex.org/I121883995"]},{"raw_affiliation_string":"Joh Kepler University Linz, Altenberger Stra\u00dfe 69, A-4040, Linz, Austria","institution_ids":["https://openalex.org/I121883995"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111461831","display_name":"Jens Volkert","orcid":null},"institutions":[{"id":"https://openalex.org/I121883995","display_name":"Johannes Kepler University of Linz","ror":"https://ror.org/052r2xn60","country_code":"AT","type":"education","lineage":["https://openalex.org/I121883995"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Jens Volkert","raw_affiliation_strings":["Joh Kepler University Linz, Altenberger Stra\u00dfe 69, A-4040, Linz, Austria"],"affiliations":[{"raw_affiliation_string":"Joh Kepler University Linz, Altenberger Stra\u00dfe 69, A-4040, Linz, Austria","institution_ids":["https://openalex.org/I121883995"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5049969014","display_name":"Siegfried H\u00f6finger","orcid":"https://orcid.org/0000-0001-6742-2193"},"institutions":[{"id":"https://openalex.org/I4210155630","display_name":"Novartis (Austria)","ror":"https://ror.org/04t24x986","country_code":"AT","type":"company","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4210155630"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Siegfried H\u00f6finger","raw_affiliation_strings":["Novartis Institutes for BioMedical Research, IK@N Operations and In Silico Sciences, Brunnerstra\u00dfe 59, A-1235, Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"Novartis Institutes for BioMedical Research, IK@N Operations and In Silico Sciences, Brunnerstra\u00dfe 59, A-1235, Vienna, Austria","institution_ids":["https://openalex.org/I4210155630"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5028916764"],"corresponding_institution_ids":["https://openalex.org/I4210155630"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":2.8033,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.94224022,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"433","last_page":"440"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9944999814033508,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9944999814033508,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9869999885559082,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9848999977111816,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8316100239753723},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.6758207678794861},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6133666038513184},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.588815450668335},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.550658106803894},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.5365023612976074},{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.5189637541770935},{"id":"https://openalex.org/keywords/petascale-computing","display_name":"Petascale computing","score":0.4985945224761963},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.4482359290122986},{"id":"https://openalex.org/keywords/embarrassingly-parallel","display_name":"Embarrassingly parallel","score":0.4257066547870636},{"id":"https://openalex.org/keywords/parallel-algorithm","display_name":"Parallel algorithm","score":0.32881879806518555},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.18054282665252686},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.15070390701293945},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.10881930589675903},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.06365901231765747}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8316100239753723},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.6758207678794861},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6133666038513184},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.588815450668335},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.550658106803894},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.5365023612976074},{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.5189637541770935},{"id":"https://openalex.org/C185410017","wikidata":"https://www.wikidata.org/wiki/Q7171778","display_name":"Petascale computing","level":3,"score":0.4985945224761963},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.4482359290122986},{"id":"https://openalex.org/C126909462","wikidata":"https://www.wikidata.org/wiki/Q5369501","display_name":"Embarrassingly parallel","level":3,"score":0.4257066547870636},{"id":"https://openalex.org/C120373497","wikidata":"https://www.wikidata.org/wiki/Q1087987","display_name":"Parallel algorithm","level":2,"score":0.32881879806518555},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.18054282665252686},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.15070390701293945},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.10881930589675903},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.06365901231765747},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/11557265_55","is_oa":false,"landing_page_url":"https://doi.org/10.1007/11557265_55","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.41999998688697815,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":5,"referenced_works":["https://openalex.org/W1487233798","https://openalex.org/W1575350781","https://openalex.org/W2077501220","https://openalex.org/W2159010139","https://openalex.org/W2177471540"],"related_works":["https://openalex.org/W2021702679","https://openalex.org/W3038449658","https://openalex.org/W1582746211","https://openalex.org/W3129378740","https://openalex.org/W2266027327","https://openalex.org/W2278366184","https://openalex.org/W1942762218","https://openalex.org/W1486544172","https://openalex.org/W4300992253","https://openalex.org/W4206324154"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
