{"id":"https://openalex.org/W2899983424","doi":"https://doi.org/10.1007/978-3-030-17872-7_8","title":"Understanding the Scalability of Molecular Simulation Using Empirical Performance Modeling","display_name":"Understanding the Scalability of Molecular Simulation Using Empirical Performance Modeling","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W2899983424","doi":"https://doi.org/10.1007/978-3-030-17872-7_8","mag":"2899983424"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-030-17872-7_8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-030-17872-7_8","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/A5078117522","display_name":"Sergei Shudler","orcid":"https://orcid.org/0000-0001-7238-7353"},"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":true,"raw_author_name":"Sergei Shudler","raw_affiliation_strings":["Argonne National Laboratory, Lemont, IL, 60439, USA"],"affiliations":[{"raw_affiliation_string":"Argonne National Laboratory, Lemont, IL, 60439, USA","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082093150","display_name":"Jadran Vrabec","orcid":"https://orcid.org/0000-0002-7947-4051"},"institutions":[{"id":"https://openalex.org/I4577782","display_name":"Technische Universit\u00e4t Berlin","ror":"https://ror.org/03v4gjf40","country_code":"DE","type":"education","lineage":["https://openalex.org/I4577782"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Jadran Vrabec","raw_affiliation_strings":["Thermodynamics and Process Engineering, Technical University Berlin, 10587, Berlin, Germany"],"affiliations":[{"raw_affiliation_string":"Thermodynamics and Process Engineering, Technical University Berlin, 10587, Berlin, Germany","institution_ids":["https://openalex.org/I4577782"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5018089961","display_name":"Felix Wolf","orcid":"https://orcid.org/0000-0001-6595-3599"},"institutions":[{"id":"https://openalex.org/I31512782","display_name":"Technical University of Darmstadt","ror":"https://ror.org/05n911h24","country_code":"DE","type":"education","lineage":["https://openalex.org/I31512782"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Felix Wolf","raw_affiliation_strings":["Laboratory for Parallel Programming, Technical University Darmstadt, 64289, Darmstadt, Germany"],"affiliations":[{"raw_affiliation_string":"Laboratory for Parallel Programming, Technical University Darmstadt, 64289, Darmstadt, Germany","institution_ids":["https://openalex.org/I31512782"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5078117522"],"corresponding_institution_ids":["https://openalex.org/I1282105669"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":0.9703,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.74714491,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"125","last_page":"143"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9975000023841858,"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"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9975000023841858,"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"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9958999752998352,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials 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":0.9923999905586243,"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/computer-science","display_name":"Computer science","score":0.8174283504486084},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.732351541519165},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.6731715202331543},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6548755168914795},{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.5294280648231506},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.529392421245575},{"id":"https://openalex.org/keywords/code","display_name":"Code (set theory)","score":0.4370340406894684},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.4363492429256439},{"id":"https://openalex.org/keywords/range","display_name":"Range (aeronautics)","score":0.41516464948654175},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.1762850284576416},{"id":"https://openalex.org/keywords/aerospace-engineering","display_name":"Aerospace engineering","score":0.12656110525131226},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.10555681586265564},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.07682156562805176}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8174283504486084},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.732351541519165},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.6731715202331543},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6548755168914795},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.5294280648231506},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.529392421245575},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.4370340406894684},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.4363492429256439},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.41516464948654175},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.1762850284576416},{"id":"https://openalex.org/C146978453","wikidata":"https://www.wikidata.org/wiki/Q3798668","display_name":"Aerospace engineering","level":1,"score":0.12656110525131226},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.10555681586265564},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.07682156562805176},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.0},{"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/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","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/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/978-3-030-17872-7_8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-030-17872-7_8","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"},{"id":"pmh:oai:tubiblio.ulb.tu-darmstadt.de:108664","is_oa":false,"landing_page_url":"http://tubiblio.ulb.tu-darmstadt.de/108664/","pdf_url":null,"source":{"id":"https://openalex.org/S4377196390","display_name":"TUbilio (Technical University of Darmstadt)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I31512782","host_organization_name":"Technische Universit\u00e4t Darmstadt","host_organization_lineage":["https://openalex.org/I31512782"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Konferenzver\u00f6ffentlichung"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.5699999928474426,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":22,"referenced_works":["https://openalex.org/W1545880915","https://openalex.org/W1550497840","https://openalex.org/W1981021420","https://openalex.org/W2019465613","https://openalex.org/W2056580897","https://openalex.org/W2079577430","https://openalex.org/W2087917487","https://openalex.org/W2107375690","https://openalex.org/W2108177987","https://openalex.org/W2131230754","https://openalex.org/W2150981663","https://openalex.org/W2253537905","https://openalex.org/W2255838212","https://openalex.org/W2499705876","https://openalex.org/W2560696237","https://openalex.org/W2566744474","https://openalex.org/W2579934348","https://openalex.org/W2748212797","https://openalex.org/W2767224631","https://openalex.org/W2767461568","https://openalex.org/W2962866806","https://openalex.org/W4251820394"],"related_works":["https://openalex.org/W1981780420","https://openalex.org/W2182707996","https://openalex.org/W45233828","https://openalex.org/W2964988449","https://openalex.org/W2397952901","https://openalex.org/W2029380707","https://openalex.org/W4255934811","https://openalex.org/W2465382974","https://openalex.org/W2010229520","https://openalex.org/W2100349471"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
