{"id":"https://openalex.org/W4388581156","doi":"https://doi.org/10.1145/3624062.3624261","title":"Domain-Specific Energy Modeling for Drug Discovery and Magnetohydrodynamics Applications","display_name":"Domain-Specific Energy Modeling for Drug Discovery and Magnetohydrodynamics Applications","publication_year":2023,"publication_date":"2023-11-10","ids":{"openalex":"https://openalex.org/W4388581156","doi":"https://doi.org/10.1145/3624062.3624261"},"language":"en","primary_location":{"id":"doi:10.1145/3624062.3624261","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3624062.3624261","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3624062.3624261","source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the SC '23 Workshops of the International Conference on High Performance Computing, Network, Storage, and Analysis","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://dl.acm.org/doi/pdf/10.1145/3624062.3624261","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5041701087","display_name":"Lorenzo Carpentieri","orcid":"https://orcid.org/0009-0001-2041-7618"},"institutions":[{"id":"https://openalex.org/I131729948","display_name":"University of Salerno","ror":"https://ror.org/0192m2k53","country_code":"IT","type":"education","lineage":["https://openalex.org/I131729948"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Lorenzo Carpentieri","raw_affiliation_strings":["University of Salerno, Italy"],"affiliations":[{"raw_affiliation_string":"University of Salerno, Italy","institution_ids":["https://openalex.org/I131729948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041323874","display_name":"Marco D\u2019Antonio","orcid":"https://orcid.org/0009-0002-7399-7705"},"institutions":[{"id":"https://openalex.org/I131729948","display_name":"University of Salerno","ror":"https://ror.org/0192m2k53","country_code":"IT","type":"education","lineage":["https://openalex.org/I131729948"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Marco D'Antonio","raw_affiliation_strings":["University of Salerno, Italy"],"affiliations":[{"raw_affiliation_string":"University of Salerno, Italy","institution_ids":["https://openalex.org/I131729948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059050041","display_name":"Kaijie Fan","orcid":"https://orcid.org/0000-0003-0118-0974"},"institutions":[{"id":"https://openalex.org/I131729948","display_name":"University of Salerno","ror":"https://ror.org/0192m2k53","country_code":"IT","type":"education","lineage":["https://openalex.org/I131729948"]},{"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","IT"],"is_corresponding":false,"raw_author_name":"Kaijie Fan","raw_affiliation_strings":["Technical University of Berlin, Germany and University of Salerno, Italy"],"affiliations":[{"raw_affiliation_string":"Technical University of Berlin, Germany and University of Salerno, Italy","institution_ids":["https://openalex.org/I131729948","https://openalex.org/I4577782"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085033505","display_name":"Luigi Crisci","orcid":"https://orcid.org/0000-0002-6095-1321"},"institutions":[{"id":"https://openalex.org/I131729948","display_name":"University of Salerno","ror":"https://ror.org/0192m2k53","country_code":"IT","type":"education","lineage":["https://openalex.org/I131729948"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Luigi Crisci","raw_affiliation_strings":["University of Salerno, Italy"],"affiliations":[{"raw_affiliation_string":"University of Salerno, Italy","institution_ids":["https://openalex.org/I131729948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031619277","display_name":"Biagio Cosenza","orcid":"https://orcid.org/0000-0002-8869-6705"},"institutions":[{"id":"https://openalex.org/I131729948","display_name":"University of Salerno","ror":"https://ror.org/0192m2k53","country_code":"IT","type":"education","lineage":["https://openalex.org/I131729948"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Biagio Cosenza","raw_affiliation_strings":["University of Salerno, Italy"],"affiliations":[{"raw_affiliation_string":"University of Salerno, Italy","institution_ids":["https://openalex.org/I131729948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064922215","display_name":"Federico Ficarelli","orcid":"https://orcid.org/0000-0003-1447-8278"},"institutions":[{"id":"https://openalex.org/I4210119786","display_name":"Cineca","ror":"https://ror.org/02f013h18","country_code":"IT","type":"other","lineage":["https://openalex.org/I4210119786"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Federico Ficarelli","raw_affiliation_strings":["CINECA, Italy"],"affiliations":[{"raw_affiliation_string":"CINECA, Italy","institution_ids":["https://openalex.org/I4210119786"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002332287","display_name":"Daniele Cesarini","orcid":"https://orcid.org/0000-0003-1294-372X"},"institutions":[{"id":"https://openalex.org/I4210119786","display_name":"Cineca","ror":"https://ror.org/02f013h18","country_code":"IT","type":"other","lineage":["https://openalex.org/I4210119786"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Daniele Cesarini","raw_affiliation_strings":["CINECA, Italy"],"affiliations":[{"raw_affiliation_string":"CINECA, Italy","institution_ids":["https://openalex.org/I4210119786"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055263185","display_name":"Gianmarco Accordi","orcid":"https://orcid.org/0000-0001-8023-2108"},"institutions":[{"id":"https://openalex.org/I93860229","display_name":"Politecnico di Milano","ror":"https://ror.org/01nffqt88","country_code":"IT","type":"education","lineage":["https://openalex.org/I93860229"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Gianmarco Accordi","raw_affiliation_strings":["Polytechnic University of Milan, Italy"],"affiliations":[{"raw_affiliation_string":"Polytechnic University of Milan, Italy","institution_ids":["https://openalex.org/I93860229"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059293847","display_name":"Davide Gadioli","orcid":"https://orcid.org/0000-0002-0143-0737"},"institutions":[{"id":"https://openalex.org/I93860229","display_name":"Politecnico di Milano","ror":"https://ror.org/01nffqt88","country_code":"IT","type":"education","lineage":["https://openalex.org/I93860229"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Davide Gadioli","raw_affiliation_strings":["Polytechnic University of Milan, Italy"],"affiliations":[{"raw_affiliation_string":"Polytechnic University of Milan, Italy","institution_ids":["https://openalex.org/I93860229"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077005193","display_name":"Gianluca Palermo","orcid":"https://orcid.org/0000-0001-7955-8012"},"institutions":[{"id":"https://openalex.org/I93860229","display_name":"Politecnico di Milano","ror":"https://ror.org/01nffqt88","country_code":"IT","type":"education","lineage":["https://openalex.org/I93860229"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Gianluca Palermo","raw_affiliation_strings":["Polytechnic University of Milan, Italy"],"affiliations":[{"raw_affiliation_string":"Polytechnic University of Milan, Italy","institution_ids":["https://openalex.org/I93860229"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037323768","display_name":"Peter Thoman","orcid":"https://orcid.org/0000-0002-4028-7451"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Peter Thoman","raw_affiliation_strings":["University of Innsbruck, Austria"],"affiliations":[{"raw_affiliation_string":"University of Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011445440","display_name":"Philip Salzmann","orcid":"https://orcid.org/0000-0002-8668-4639"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Philip Salzmann","raw_affiliation_strings":["University of Innsbruck, Austria"],"affiliations":[{"raw_affiliation_string":"University of Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031226997","display_name":"Philipp Gschwandtner","orcid":"https://orcid.org/0000-0002-7774-0344"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Philipp Gschwandtner","raw_affiliation_strings":["University of Innsbruck, Austria and PH3 GmbH, Austria"],"affiliations":[{"raw_affiliation_string":"University of Innsbruck, Austria and PH3 GmbH, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029220354","display_name":"Markus Wippler","orcid":"https://orcid.org/0009-0006-9378-3332"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Markus Wippler","raw_affiliation_strings":["PH3 GmbH, Austria"],"affiliations":[{"raw_affiliation_string":"PH3 GmbH, Austria","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088862890","display_name":"Filippo Marchetti","orcid":"https://orcid.org/0000-0003-2879-3893"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Filippo Marchetti","raw_affiliation_strings":["E4 Computer Engineering SpA, Italy"],"affiliations":[{"raw_affiliation_string":"E4 Computer Engineering SpA, Italy","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101821783","display_name":"Daniele Gregori","orcid":"https://orcid.org/0000-0002-6137-6453"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Daniele Gregori","raw_affiliation_strings":["E4 Computer Engineering SpA, Italy"],"affiliations":[{"raw_affiliation_string":"E4 Computer Engineering SpA, Italy","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5032283822","display_name":"Andrea R. Beccari","orcid":"https://orcid.org/0000-0001-6830-2695"},"institutions":[{"id":"https://openalex.org/I4210140932","display_name":"Domp\u00e9 (Italy)","ror":"https://ror.org/04erezm33","country_code":"IT","type":"company","lineage":["https://openalex.org/I4210140932"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Andrea Rosario Beccari","raw_affiliation_strings":["Domp\u00e9 Farmaceutici Spa, Italy"],"affiliations":[{"raw_affiliation_string":"Domp\u00e9 Farmaceutici Spa, Italy","institution_ids":["https://openalex.org/I4210140932"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":17,"corresponding_author_ids":["https://openalex.org/A5041701087"],"corresponding_institution_ids":["https://openalex.org/I131729948"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.31248727,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"1790","last_page":"1800"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9919999837875366,"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":0.9919999837875366,"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/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.9876000285148621,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9702000021934509,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/magnetohydrodynamics","display_name":"Magnetohydrodynamics","score":0.637509822845459},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5442145466804504},{"id":"https://openalex.org/keywords/domain","display_name":"Domain (mathematical analysis)","score":0.49914097785949707},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2333793044090271},{"id":"https://openalex.org/keywords/plasma","display_name":"Plasma","score":0.13515591621398926},{"id":"https://openalex.org/keywords/nuclear-physics","display_name":"Nuclear physics","score":0.0860101580619812}],"concepts":[{"id":"https://openalex.org/C31532427","wikidata":"https://www.wikidata.org/wiki/Q2549249","display_name":"Magnetohydrodynamics","level":3,"score":0.637509822845459},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5442145466804504},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.49914097785949707},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2333793044090271},{"id":"https://openalex.org/C82706917","wikidata":"https://www.wikidata.org/wiki/Q10251","display_name":"Plasma","level":2,"score":0.13515591621398926},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.0860101580619812},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1145/3624062.3624261","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3624062.3624261","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3624062.3624261","source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the SC '23 Workshops of the International Conference on High Performance Computing, Network, Storage, and Analysis","raw_type":"proceedings-article"},{"id":"pmh:oai:re.public.polimi.it:11311/1260964","is_oa":true,"landing_page_url":"https://hdl.handle.net/11311/1260964","pdf_url":"https://re.public.polimi.it/bitstream/11311/1260964/1/domain-specific.pdf","source":{"id":"https://openalex.org/S4306400312","display_name":"Virtual Community of Pathological Anatomy (University of Castilla La Mancha)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I79189158","host_organization_name":"University of Castilla-La Mancha","host_organization_lineage":["https://openalex.org/I79189158"],"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":"","raw_type":"info:eu-repo/semantics/conferenceObject"}],"best_oa_location":{"id":"doi:10.1145/3624062.3624261","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3624062.3624261","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3624062.3624261","source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the SC '23 Workshops of the International Conference on High Performance Computing, Network, Storage, and Analysis","raw_type":"proceedings-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.6200000047683716,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4388581156.pdf","grobid_xml":"https://content.openalex.org/works/W4388581156.grobid-xml"},"referenced_works_count":36,"referenced_works":["https://openalex.org/W1980489165","https://openalex.org/W2000495860","https://openalex.org/W2010542060","https://openalex.org/W2020875745","https://openalex.org/W2038274723","https://openalex.org/W2038666141","https://openalex.org/W2056322992","https://openalex.org/W2086218701","https://openalex.org/W2088433004","https://openalex.org/W2101278965","https://openalex.org/W2107063279","https://openalex.org/W2141761787","https://openalex.org/W2160267300","https://openalex.org/W2166964417","https://openalex.org/W2494280654","https://openalex.org/W2578119541","https://openalex.org/W2613546278","https://openalex.org/W2735793669","https://openalex.org/W2770131292","https://openalex.org/W2794513473","https://openalex.org/W2808996033","https://openalex.org/W2886890458","https://openalex.org/W2905230928","https://openalex.org/W2984189761","https://openalex.org/W2987450657","https://openalex.org/W3099709599","https://openalex.org/W3106233897","https://openalex.org/W3116425165","https://openalex.org/W3126025945","https://openalex.org/W3138526880","https://openalex.org/W3207137214","https://openalex.org/W3215053647","https://openalex.org/W4286655745","https://openalex.org/W4320168510","https://openalex.org/W4383710281","https://openalex.org/W4388662106"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2748952813","https://openalex.org/W2485048428","https://openalex.org/W2390279801","https://openalex.org/W3160947786","https://openalex.org/W2358668433","https://openalex.org/W4298153546","https://openalex.org/W2952020894","https://openalex.org/W2063184286","https://openalex.org/W2047762351"],"abstract_inverted_index":{"Over":[0],"the":[1,5,36,41,66,93,116,120,130,151,164,170,177,197],"past":[2],"few":[3],"years,":[4],"adoption":[6],"of":[7,108,119,132,153],"energy":[8,46,60,77,98,126,160,166,199],"efficiency":[9],"techniques":[10],"in":[11],"modern":[12],"computer":[13],"systems":[14],"is":[15,31,52],"becoming":[16],"increasingly":[17],"relevant":[18],"for":[19,28,104,184],"sustainable":[20],"computing.":[21],"A":[22],"well-known":[23],"power":[24],"management":[25],"software":[26],"technique":[27],"energy-efficient":[29],"computing":[30],"frequency":[32,38,49,67,83],"scaling":[33],"which":[34,162],"modulates":[35],"device":[37],"to":[39,75,149,175,196],"explore":[40],"energy-performance":[42],"trade-off.":[43],"To":[44],"achieve":[45,189],"savings,":[47],"a":[48,105,190],"tuning":[50],"phase":[51],"required":[53],"because":[54],"different":[55,59],"applications":[56,141],"can":[57,72,100,112],"have":[58],"and":[61,78,80,135,146],"runtime":[62],"behaviors":[63],"depending":[64],"on":[65,86],"setting.":[68],"Machine":[69],"learning":[70],"models":[71,99,167,188],"be":[73,101,113],"used":[74],"predict":[76],"runtime,":[79],"therefore":[81],"optimal":[82],"configurations,":[84],"based":[85],"static":[87],"or":[88],"dynamic":[89],"features":[90],"extracted":[91],"from":[92],"target":[94,121,171],"application.":[95,122],"While":[96],"general-purpose":[97,154,165,198],"very":[102],"accurate":[103],"wide":[106],"range":[107],"applications,":[109,186],"their":[110],"accuracy":[111],"limited":[114],"by":[115,137,168],"specific":[117],"input":[118,173],"We":[123],"present":[124],"an":[125],"characterization":[127],"that":[128,183],"spans":[129],"fields":[131],"drug":[133],"discovery":[134],"magnetohydrodynamics":[136],"using":[138],"two":[139,158],"real-world":[140],"as":[142],"case":[143],"studies:":[144],"LiGen":[145],"Cronos.":[147],"Additionally,":[148],"overcome":[150],"limitations":[152],"approaches,":[155],"we":[156],"define":[157],"domain-specific":[159,187],"models,":[161],"enhance":[163],"leveraging":[169],"application\u2019s":[172],"parameter":[174],"increase":[176],"final":[178],"accuracy.":[179],"Experimental":[180],"results":[181],"show":[182],"both":[185],"ten":[191],"times":[192],"lower":[193],"error":[194],"compared":[195],"models.":[200]},"counts_by_year":[],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}