{"id":"https://openalex.org/W4283703480","doi":"https://doi.org/10.23919/mipro55190.2022.9803335","title":"Parallelized Ab Initio Quantum Transport Simulation of Nanoscale Bismuthene Devices","display_name":"Parallelized Ab Initio Quantum Transport Simulation of Nanoscale Bismuthene Devices","publication_year":2022,"publication_date":"2022-05-23","ids":{"openalex":"https://openalex.org/W4283703480","doi":"https://doi.org/10.23919/mipro55190.2022.9803335"},"language":"en","primary_location":{"id":"doi:10.23919/mipro55190.2022.9803335","is_oa":false,"landing_page_url":"https://doi.org/10.23919/mipro55190.2022.9803335","pdf_url":null,"source":{"id":"https://openalex.org/S4363605136","display_name":"2022 45th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2022 45th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO)","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/A5082128661","display_name":"Mislav Mati\u0107","orcid":"https://orcid.org/0000-0001-9862-4310"},"institutions":[{"id":"https://openalex.org/I181343428","display_name":"University of Zagreb","ror":"https://ror.org/00mv6sv71","country_code":"HR","type":"education","lineage":["https://openalex.org/I181343428"]}],"countries":["HR"],"is_corresponding":true,"raw_author_name":"M. Matic","raw_affiliation_strings":["University of Zagreb,Computational Nanoelectronics Group Micro and Nano Electronics Laboratory, Faculty of Electrical Engineering and Computing,Zagreb,HR,Croatia,10000"],"affiliations":[{"raw_affiliation_string":"University of Zagreb,Computational Nanoelectronics Group Micro and Nano Electronics Laboratory, Faculty of Electrical Engineering and Computing,Zagreb,HR,Croatia,10000","institution_ids":["https://openalex.org/I181343428"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016173465","display_name":"T. Zupancic","orcid":null},"institutions":[{"id":"https://openalex.org/I181343428","display_name":"University of Zagreb","ror":"https://ror.org/00mv6sv71","country_code":"HR","type":"education","lineage":["https://openalex.org/I181343428"]}],"countries":["HR"],"is_corresponding":false,"raw_author_name":"T. Zupancic","raw_affiliation_strings":["University of Zagreb,Computational Nanoelectronics Group Micro and Nano Electronics Laboratory, Faculty of Electrical Engineering and Computing,Zagreb,HR,Croatia,10000"],"affiliations":[{"raw_affiliation_string":"University of Zagreb,Computational Nanoelectronics Group Micro and Nano Electronics Laboratory, Faculty of Electrical Engineering and Computing,Zagreb,HR,Croatia,10000","institution_ids":["https://openalex.org/I181343428"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003032308","display_name":"Mirko Poljak","orcid":"https://orcid.org/0000-0001-7075-6688"},"institutions":[{"id":"https://openalex.org/I181343428","display_name":"University of Zagreb","ror":"https://ror.org/00mv6sv71","country_code":"HR","type":"education","lineage":["https://openalex.org/I181343428"]}],"countries":["HR"],"is_corresponding":false,"raw_author_name":"M. Poljak","raw_affiliation_strings":["University of Zagreb,Computational Nanoelectronics Group Micro and Nano Electronics Laboratory, Faculty of Electrical Engineering and Computing,Zagreb,HR,Croatia,10000"],"affiliations":[{"raw_affiliation_string":"University of Zagreb,Computational Nanoelectronics Group Micro and Nano Electronics Laboratory, Faculty of Electrical Engineering and Computing,Zagreb,HR,Croatia,10000","institution_ids":["https://openalex.org/I181343428"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5082128661"],"corresponding_institution_ids":["https://openalex.org/I181343428"],"apc_list":null,"apc_paid":null,"fwci":4.3006,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.95325355,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"118","last_page":"123"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.9997000098228455,"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"}},"topics":[{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.9997000098228455,"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/T10275","display_name":"2D Materials and Applications","score":0.9993000030517578,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9991000294685364,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.6958519816398621},{"id":"https://openalex.org/keywords/xeon","display_name":"Xeon","score":0.6928623914718628},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.6576930284500122},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.6482586860656738},{"id":"https://openalex.org/keywords/solver","display_name":"Solver","score":0.6471700072288513},{"id":"https://openalex.org/keywords/multi-core-processor","display_name":"Multi-core processor","score":0.6025885939598083},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5937431454658508},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.5046366453170776},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.469745934009552},{"id":"https://openalex.org/keywords/hamiltonian","display_name":"Hamiltonian (control theory)","score":0.46088123321533203},{"id":"https://openalex.org/keywords/quantum-computer","display_name":"Quantum computer","score":0.4568115472793579},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.4424908757209778},{"id":"https://openalex.org/keywords/message-passing-interface","display_name":"Message Passing Interface","score":0.43180644512176514},{"id":"https://openalex.org/keywords/acceleration","display_name":"Acceleration","score":0.4127700924873352},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.36650028824806213},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2693138122558594},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.1901319921016693},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.1521168351173401},{"id":"https://openalex.org/keywords/message-passing","display_name":"Message passing","score":0.13699635863304138},{"id":"https://openalex.org/keywords/mathematical-optimization","display_name":"Mathematical optimization","score":0.12548872828483582},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.11502957344055176}],"concepts":[{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.6958519816398621},{"id":"https://openalex.org/C145108525","wikidata":"https://www.wikidata.org/wiki/Q656154","display_name":"Xeon","level":2,"score":0.6928623914718628},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.6576930284500122},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.6482586860656738},{"id":"https://openalex.org/C2778770139","wikidata":"https://www.wikidata.org/wiki/Q1966904","display_name":"Solver","level":2,"score":0.6471700072288513},{"id":"https://openalex.org/C78766204","wikidata":"https://www.wikidata.org/wiki/Q555032","display_name":"Multi-core processor","level":2,"score":0.6025885939598083},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5937431454658508},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.5046366453170776},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.469745934009552},{"id":"https://openalex.org/C130787639","wikidata":"https://www.wikidata.org/wiki/Q5645293","display_name":"Hamiltonian (control theory)","level":2,"score":0.46088123321533203},{"id":"https://openalex.org/C58053490","wikidata":"https://www.wikidata.org/wiki/Q176555","display_name":"Quantum computer","level":3,"score":0.4568115472793579},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4424908757209778},{"id":"https://openalex.org/C166782233","wikidata":"https://www.wikidata.org/wiki/Q127879","display_name":"Message Passing Interface","level":3,"score":0.43180644512176514},{"id":"https://openalex.org/C117896860","wikidata":"https://www.wikidata.org/wiki/Q11376","display_name":"Acceleration","level":2,"score":0.4127700924873352},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.36650028824806213},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2693138122558594},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.1901319921016693},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.1521168351173401},{"id":"https://openalex.org/C854659","wikidata":"https://www.wikidata.org/wiki/Q1859284","display_name":"Message passing","level":2,"score":0.13699635863304138},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.12548872828483582},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.11502957344055176},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.23919/mipro55190.2022.9803335","is_oa":false,"landing_page_url":"https://doi.org/10.23919/mipro55190.2022.9803335","pdf_url":null,"source":{"id":"https://openalex.org/S4363605136","display_name":"2022 45th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2022 45th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO)","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":32,"referenced_works":["https://openalex.org/W1981368803","https://openalex.org/W1995696119","https://openalex.org/W2022709083","https://openalex.org/W2036113194","https://openalex.org/W2038080797","https://openalex.org/W2074665638","https://openalex.org/W2086880071","https://openalex.org/W2098874598","https://openalex.org/W2101292731","https://openalex.org/W2105564187","https://openalex.org/W2109471502","https://openalex.org/W2121624572","https://openalex.org/W2150871235","https://openalex.org/W2164805481","https://openalex.org/W2176009997","https://openalex.org/W2230728100","https://openalex.org/W2326502548","https://openalex.org/W2493021935","https://openalex.org/W2551377153","https://openalex.org/W2744406216","https://openalex.org/W2775062543","https://openalex.org/W2981108585","https://openalex.org/W2982571243","https://openalex.org/W2983429008","https://openalex.org/W3013990447","https://openalex.org/W3034518420","https://openalex.org/W3080126755","https://openalex.org/W3083787461","https://openalex.org/W3089789596","https://openalex.org/W3098152251","https://openalex.org/W3166568372","https://openalex.org/W4200151831"],"related_works":["https://openalex.org/W1615383022","https://openalex.org/W2340180648","https://openalex.org/W2103667109","https://openalex.org/W2022666014","https://openalex.org/W2995515486","https://openalex.org/W2079303253","https://openalex.org/W2085237598","https://openalex.org/W2159870643","https://openalex.org/W2113124081","https://openalex.org/W2048968534"],"abstract_inverted_index":{"We":[0,85],"describe":[1],"our":[2],"parallel":[3],"ab":[4,32],"initio":[5,33],"quantum":[6],"transport":[7,113],"solver":[8],"implemented":[9],"in":[10],"C":[11],"programming":[12],"language,":[13],"with":[14],"bismuthene":[15,119],"nanoribbon":[16],"(BiNRs)":[17],"simulations":[18],"used":[19],"for":[20,67],"the":[21,53,57,111],"demonstration":[22],"of":[23,59,90,117],"its":[24],"performance.":[25],"The":[26],"inputs":[27],"are":[28,39,65],"Hamiltonians":[29],"obtained":[30],"from":[31],"density":[34],"functional":[35],"theory":[36],"(DFT),":[37],"which":[38],"wannierized":[40],"into":[41],"a":[42,105],"localized":[43],"basis":[44],"to":[45,51,104],"increase":[46],"Hamiltonian":[47],"matrix":[48,63],"sparsity":[49],"and":[50,70,78,114],"reduce":[52],"computational":[54],"load":[55],"without":[56],"loss":[58],"bandstructure":[60],"accuracy.":[61],"Numerical":[62],"operations":[64],"parallelized":[66],"cluster":[68],"computation":[69],"optimized":[71],"using":[72],"Intel":[73,79],"Message":[74],"Passing":[75],"Interface":[76],"(MPI)":[77],"oneAPI":[80],"Math":[81],"Kernel":[82],"Library":[83],"(MKL).":[84],"demonstrate":[86],"that":[87],"an":[88],"acceleration":[89],"about":[91],"~45\u00d7":[92],"is":[93],"achieved":[94],"through":[95],"parallelization":[96],"on":[97],"64":[98],"Xeon":[99],"Silver":[100],"CPU":[101],"cores":[102],"compared":[103],"single-core":[106],"execution.":[107],"Finally,":[108],"we":[109],"investigate":[110],"electronic,":[112],"device":[115],"properties":[116],"ultra-scaled":[118],"nanodevices.":[120]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}