{"id":"https://openalex.org/W4214886639","doi":"https://doi.org/10.1016/j.simpa.2022.100264","title":"Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures","display_name":"Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures","publication_year":2022,"publication_date":"2022-03-04","ids":{"openalex":"https://openalex.org/W4214886639","doi":"https://doi.org/10.1016/j.simpa.2022.100264"},"language":"en","primary_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.simpa.2022.100264","pdf_url":"http://www.softwareimpacts.com/article/S2665963822000240/pdf","source":{"id":"https://openalex.org/S4210180398","display_name":"Software Impacts","issn_l":"2665-9638","issn":["2665-9638"],"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true},"type":"article","type_crossref":"journal-article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"http://www.softwareimpacts.com/article/S2665963822000240/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5012446920","display_name":"Miha Gunde","orcid":"https://orcid.org/0000-0003-0894-3233"},"institutions":[{"id":"https://openalex.org/I4210108605","display_name":"Centre des Mat\u00e9riaux","ror":"https://ror.org/01q5ge486","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I190752583","https://openalex.org/I2746051580","https://openalex.org/I4210091621","https://openalex.org/I4210095849","https://openalex.org/I4210108605","https://openalex.org/I70768539"]},{"id":"https://openalex.org/I190497903","display_name":"Laboratoire d'Analyse et d'Architecture des Syst\u00e8mes","ror":"https://ror.org/03vcm6439","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I134560555","https://openalex.org/I190497903","https://openalex.org/I196454796","https://openalex.org/I205747304","https://openalex.org/I4210095849","https://openalex.org/I4210159245"]},{"id":"https://openalex.org/I2801626668","display_name":"AREA Science Park","ror":"https://ror.org/01dt7qh15","country_code":"IT","type":"archive","lineage":["https://openalex.org/I2801626668"]},{"id":"https://openalex.org/I4210101608","display_name":"Istituto Officina dei Materiali","ror":"https://ror.org/00yfw2296","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210101608","https://openalex.org/I4210155236"]}],"countries":["FR","IT"],"is_corresponding":false,"raw_author_name":"Miha Gunde","raw_affiliation_strings":["IOM - CNR Istituto Officina dei Materiali (Laboratorio TASC Area Science Park - Basovizza Ed.MM, Strada Statale 14 Km 163,5 I-34149 Trieste - Italie)","LAAS-M3 - \u00c9quipe Mod\u00e9lisation Multi-niveaux des Mat\u00e9riaux (France)"],"affiliations":[{"raw_affiliation_string":"LAAS-M3 - \u00c9quipe Mod\u00e9lisation Multi-niveaux des Mat\u00e9riaux (France)","institution_ids":["https://openalex.org/I4210108605","https://openalex.org/I190497903"]},{"raw_affiliation_string":"IOM - CNR Istituto Officina dei Materiali (Laboratorio TASC Area Science Park - Basovizza Ed.MM, Strada Statale 14 Km 163,5 I-34149 Trieste - Italie)","institution_ids":["https://openalex.org/I2801626668","https://openalex.org/I4210101608"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076690520","display_name":"Nicolas Salles","orcid":"https://orcid.org/0000-0003-3600-5754"},"institutions":[{"id":"https://openalex.org/I4210101608","display_name":"Istituto Officina dei Materiali","ror":"https://ror.org/00yfw2296","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210101608","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I2801626668","display_name":"AREA Science Park","ror":"https://ror.org/01dt7qh15","country_code":"IT","type":"archive","lineage":["https://openalex.org/I2801626668"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Nicolas Salles","raw_affiliation_strings":["IOM - CNR Istituto Officina dei Materiali (Laboratorio TASC Area Science Park - Basovizza Ed.MM, Strada Statale 14 Km 163,5 I-34149 Trieste - Italie)"],"affiliations":[{"raw_affiliation_string":"IOM - CNR Istituto Officina dei Materiali (Laboratorio TASC Area Science Park - Basovizza Ed.MM, Strada Statale 14 Km 163,5 I-34149 Trieste - Italie)","institution_ids":["https://openalex.org/I4210101608","https://openalex.org/I2801626668"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035135085","display_name":"Anne H\u00e9meryck","orcid":"https://orcid.org/0000-0002-0201-1171"},"institutions":[{"id":"https://openalex.org/I4210108605","display_name":"Centre des Mat\u00e9riaux","ror":"https://ror.org/01q5ge486","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I190752583","https://openalex.org/I2746051580","https://openalex.org/I4210091621","https://openalex.org/I4210095849","https://openalex.org/I4210108605","https://openalex.org/I70768539"]},{"id":"https://openalex.org/I190497903","display_name":"Laboratoire d'Analyse et d'Architecture des Syst\u00e8mes","ror":"https://ror.org/03vcm6439","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I134560555","https://openalex.org/I190497903","https://openalex.org/I196454796","https://openalex.org/I205747304","https://openalex.org/I4210095849","https://openalex.org/I4210159245"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Anne H\u00e9meryck","raw_affiliation_strings":["LAAS-M3 - \u00c9quipe Mod\u00e9lisation Multi-niveaux des Mat\u00e9riaux (France)"],"affiliations":[{"raw_affiliation_string":"LAAS-M3 - \u00c9quipe Mod\u00e9lisation Multi-niveaux des Mat\u00e9riaux (France)","institution_ids":["https://openalex.org/I4210108605","https://openalex.org/I190497903"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5016390582","display_name":"Layla Martin\u2010Samos","orcid":"https://orcid.org/0000-0002-1264-0457"},"institutions":[{"id":"https://openalex.org/I2801626668","display_name":"AREA Science Park","ror":"https://ror.org/01dt7qh15","country_code":"IT","type":"archive","lineage":["https://openalex.org/I2801626668"]},{"id":"https://openalex.org/I4210101608","display_name":"Istituto Officina dei Materiali","ror":"https://ror.org/00yfw2296","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210101608","https://openalex.org/I4210155236"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Layla Martin-Samos","raw_affiliation_strings":["IOM - CNR Istituto Officina dei Materiali (Laboratorio TASC Area Science Park - Basovizza Ed.MM, Strada Statale 14 Km 163,5 I-34149 Trieste - Italie)"],"affiliations":[{"raw_affiliation_string":"IOM - CNR Istituto Officina dei Materiali (Laboratorio TASC Area Science Park - Basovizza Ed.MM, Strada Statale 14 Km 163,5 I-34149 Trieste - Italie)","institution_ids":["https://openalex.org/I2801626668","https://openalex.org/I4210101608"]}]}],"institution_assertions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":450,"currency":"USD","value_usd":450},"apc_paid":{"value":450,"currency":"USD","value_usd":450},"fwci":0.391,"has_fulltext":true,"fulltext_origin":"pdf","cited_by_count":3,"citation_normalized_percentile":{"value":0.523442,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":75,"max":78},"biblio":{"volume":"12","issue":null,"first_page":"100264","last_page":"100264"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T14339","display_name":"Image Processing and 3D Reconstruction","score":0.999,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T14339","display_name":"Image Processing and 3D Reconstruction","score":0.999,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T10601","display_name":"Handwritten Text Recognition Techniques","score":0.9982,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T10627","display_name":"Advanced Image and Video Retrieval Techniques","score":0.994,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fortran","display_name":"Fortran","score":0.68364745},{"id":"https://openalex.org/keywords/congruence","display_name":"Congruence (geometry)","score":0.52453643},{"id":"https://openalex.org/keywords/rotation-matrix","display_name":"Rotation matrix","score":0.50152326},{"id":"https://openalex.org/keywords/transformation-matrix","display_name":"Transformation matrix","score":0.48535243},{"id":"https://openalex.org/keywords/matrix","display_name":"Matrix (chemical analysis)","score":0.46763304}],"concepts":[{"id":"https://openalex.org/C149364088","wikidata":"https://www.wikidata.org/wiki/Q185917","display_name":"Translation (biology)","level":4,"score":0.73755175},{"id":"https://openalex.org/C2778241615","wikidata":"https://www.wikidata.org/wiki/Q83303","display_name":"Fortran","level":2,"score":0.68364745},{"id":"https://openalex.org/C74050887","wikidata":"https://www.wikidata.org/wiki/Q848368","display_name":"Rotation (mathematics)","level":2,"score":0.5899923},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5545668},{"id":"https://openalex.org/C165064840","wikidata":"https://www.wikidata.org/wiki/Q1321061","display_name":"Matching (statistics)","level":2,"score":0.5346583},{"id":"https://openalex.org/C132074034","wikidata":"https://www.wikidata.org/wiki/Q154210","display_name":"Congruence (geometry)","level":2,"score":0.52453643},{"id":"https://openalex.org/C83633838","wikidata":"https://www.wikidata.org/wiki/Q1256564","display_name":"Rotation matrix","level":2,"score":0.50152326},{"id":"https://openalex.org/C165443888","wikidata":"https://www.wikidata.org/wiki/Q1482183","display_name":"Transformation matrix","level":3,"score":0.48535243},{"id":"https://openalex.org/C204241405","wikidata":"https://www.wikidata.org/wiki/Q461499","display_name":"Transformation (genetics)","level":3,"score":0.48217696},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.46763304},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.41883573},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.41216156},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.40298486},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1783072},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1311681},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.07388377},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C39920418","wikidata":"https://www.wikidata.org/wiki/Q11476","display_name":"Kinematics","level":2,"score":0.0},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0},{"id":"https://openalex.org/C105580179","wikidata":"https://www.wikidata.org/wiki/Q188928","display_name":"Messenger RNA","level":3,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.simpa.2022.100264","pdf_url":"http://www.softwareimpacts.com/article/S2665963822000240/pdf","source":{"id":"https://openalex.org/S4210180398","display_name":"Software Impacts","issn_l":"2665-9638","issn":["2665-9638"],"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://hal.laas.fr/hal-03600844","pdf_url":"https://hal.laas.fr/hal-03600844/document","source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":["Centre National de la Recherche Scientifique"],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false},{"is_oa":true,"landing_page_url":"https://laas.hal.science/hal-03600844","pdf_url":"https://laas.hal.science/hal-03600844/document","source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":["Centre National de la Recherche Scientifique"],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false},{"is_oa":true,"landing_page_url":"https://laas.hal.science/hal-03600844/file/2022-Gunde-software_impacts_IRA.pdf","pdf_url":"https://laas.hal.science/hal-03600844/file/2022-Gunde-software_impacts_IRA.pdf","source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":["Centre National de la Recherche Scientifique"],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false},{"is_oa":true,"landing_page_url":"https://hal.laas.fr/hal-03600844/file/2022-Gunde-software_impacts_IRA.pdf","pdf_url":"https://hal.laas.fr/hal-03600844/file/2022-Gunde-software_impacts_IRA.pdf","source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":["Centre National de la Recherche Scientifique"],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false}],"best_oa_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.simpa.2022.100264","pdf_url":"http://www.softwareimpacts.com/article/S2665963822000240/pdf","source":{"id":"https://openalex.org/S4210180398","display_name":"Software Impacts","issn_l":"2665-9638","issn":["2665-9638"],"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true},"sustainable_development_goals":[],"grants":[],"datasets":[],"versions":[],"referenced_works_count":9,"referenced_works":["https://openalex.org/W1965696122","https://openalex.org/W1988874269","https://openalex.org/W1990064416","https://openalex.org/W2049981393","https://openalex.org/W2597187707","https://openalex.org/W2749192660","https://openalex.org/W3036082239","https://openalex.org/W3210672929","https://openalex.org/W4395476086"],"related_works":["https://openalex.org/W4205918494","https://openalex.org/W3128850401","https://openalex.org/W2810835355","https://openalex.org/W2492925340","https://openalex.org/W2394285122","https://openalex.org/W2379057772","https://openalex.org/W2141209048","https://openalex.org/W2093797512","https://openalex.org/W2091132606","https://openalex.org/W1989890335"],"abstract_inverted_index":{"IRA":[0,30,51],"is":[1,52],"a":[2,60,67,81],"Fortran":[3],"library":[4],"that":[5,76],"solves":[6],"the":[7,20,24,32,37,41,44,48,78],"shape":[8,82],"matching":[9,66,83],"problem":[10,84],"for":[11],"atomic":[12,21,42],"structures,":[13,38],"stored":[14],"as":[15],"sets":[16],"of":[17,26,63,71,80],"points":[18],"representing":[19],"positions.":[22],"In":[23],"case":[25],"exact-":[27],"and":[28,47],"near-congruence,":[29],"provides":[31],"optimal":[33],"rigid":[34],"transformation":[35],"between":[36],"given":[39],"by":[40],"assignments,":[43],"rotation/reflection":[45],"matrix,":[46],"translation":[49],"vector.":[50],"also":[53],"able":[54],"to":[55,69],"operate":[56],"on":[57],"structures":[58],"containing":[59],"non-equal":[61],"number":[62],"atoms,":[64],"i.e.":[65],"structure":[68],"any":[70],"its":[72],"fragments.":[73],"Any":[74],"application":[75],"requires":[77],"solution":[79],"could":[85],"benefit":[86],"from":[87],"IRA.":[88]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W4214886639","counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2}],"updated_date":"2025-04-23T07:42:04.783165","created_date":"2022-03-05"}