{"id":"https://openalex.org/W2984866711","doi":"https://doi.org/10.1016/j.cpc.2019.107042","title":"The Abinitproject: Impact, environment and recent developments","display_name":"The Abinitproject: Impact, environment and recent developments","publication_year":2019,"publication_date":"2019-11-18","ids":{"openalex":"https://openalex.org/W2984866711","doi":"https://doi.org/10.1016/j.cpc.2019.107042","mag":"2984866711"},"language":"en","primary_location":{"id":"doi:10.1016/j.cpc.2019.107042","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.cpc.2019.107042","pdf_url":"https://www.sciencedirect.com/science/article/am/pii/S0010465519303741?via%3Dihub","source":{"id":"https://openalex.org/S142305363","display_name":"Computer Physics Communications","issn_l":"0010-4655","issn":["0010-4655","1879-2944"],"is_oa":false,"is_in_doaj":false,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computer Physics Communications","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://www.sciencedirect.com/science/article/am/pii/S0010465519303741?via%3Dihub","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5073176584","display_name":"Xavier Gonze","orcid":"https://orcid.org/0000-0002-8377-6829"},"institutions":[{"id":"https://openalex.org/I4210130123","display_name":"European Theoretical Spectroscopy Facility","ror":"https://ror.org/0390vgx68","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210130123"]},{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":true,"raw_author_name":"Xavier Gonze","raw_affiliation_strings":["European Theoretical Spectroscopy Facility, Belgium","Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"European Theoretical Spectroscopy Facility, Belgium","institution_ids":["https://openalex.org/I4210130123"]},{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025798411","display_name":"Bernard Amadon","orcid":"https://orcid.org/0000-0002-9014-1725"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Bernard Amadon","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051655108","display_name":"Gabriel Antonius","orcid":"https://orcid.org/0000-0003-1481-7110"},"institutions":[{"id":"https://openalex.org/I63341726","display_name":"Universit\u00e9 du Qu\u00e9bec \u00e0 Trois-Rivi\u00e8res","ror":"https://ror.org/02xrw9r68","country_code":"CA","type":"education","lineage":["https://openalex.org/I49663120","https://openalex.org/I63341726"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Gabriel Antonius","raw_affiliation_strings":["Dpartement de Chimie, Biochimie et Physique, Institut de recherche sur l'hydrogne, Universit du Qubec  Trois-Rivires, Trois-Rivires, Canada","D\u00e9partement de Chimie, Biochimie et Physique, Institut de recherche sur l\u2019hydrog\u00e8ne, Universit\u00e9 du Qu\u00e9bec \u00e0 Trois-Rivi\u00e8res, Trois-Rivi\u00e8res, Canada"],"affiliations":[{"raw_affiliation_string":"Dpartement de Chimie, Biochimie et Physique, Institut de recherche sur l'hydrogne, Universit du Qubec  Trois-Rivires, Trois-Rivires, Canada","institution_ids":["https://openalex.org/I63341726"]},{"raw_affiliation_string":"D\u00e9partement de Chimie, Biochimie et Physique, Institut de recherche sur l\u2019hydrog\u00e8ne, Universit\u00e9 du Qu\u00e9bec \u00e0 Trois-Rivi\u00e8res, Trois-Rivi\u00e8res, Canada","institution_ids":["https://openalex.org/I63341726"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011771636","display_name":"Fr\u00e9d\u00e9ric Arnardi","orcid":null},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Fr\u00e9d\u00e9ric Arnardi","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086897754","display_name":"Lucas Baguet","orcid":"https://orcid.org/0000-0002-5423-705X"},"institutions":[{"id":"https://openalex.org/I11559806","display_name":"\u00c9cole Normale Sup\u00e9rieure Paris-Saclay","ror":"https://ror.org/00hx6zz33","country_code":"FR","type":"education","lineage":["https://openalex.org/I11559806","https://openalex.org/I277688954"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I277688954","display_name":"Universit\u00e9 Paris-Saclay","ror":"https://ror.org/03xjwb503","country_code":"FR","type":"education","lineage":["https://openalex.org/I277688954"]},{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]},{"id":"https://openalex.org/I4210145605","display_name":"Institut de min\u00e9ralogie, de physique des mat\u00e9riaux et de cosmochimie","ror":"https://ror.org/05abgg682","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I1327553481","https://openalex.org/I154202486","https://openalex.org/I2799535048","https://openalex.org/I2802818602","https://openalex.org/I39804081","https://openalex.org/I4210088668","https://openalex.org/I4210090127","https://openalex.org/I4210098836","https://openalex.org/I4210113730","https://openalex.org/I4210123595","https://openalex.org/I4210131494","https://openalex.org/I4210145605","https://openalex.org/I4210166444","https://openalex.org/I4405257220"]},{"id":"https://openalex.org/I4210166444","display_name":"Institut de Recherche pour le D\u00e9veloppement","ror":"https://ror.org/05q3vnk25","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1327553481","https://openalex.org/I154202486","https://openalex.org/I2799535048","https://openalex.org/I2802818602","https://openalex.org/I4210088668","https://openalex.org/I4210090127","https://openalex.org/I4210113730","https://openalex.org/I4210131494","https://openalex.org/I4210166444","https://openalex.org/I4405257220"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Lucas Baguet","raw_affiliation_strings":["CMLA, ENS Cachan, CNRS, Universit\u00e9 Paris-Saclay, Cachan, France","CEA DAM-DIF, F-91297 Arpajon, France","IMPMC, UMR 7590 of Sorbonne Universit\u00e9/CNRS/MNHN/IRD, Paris, France"],"affiliations":[{"raw_affiliation_string":"CMLA, ENS Cachan, CNRS, Universit\u00e9 Paris-Saclay, Cachan, France","institution_ids":["https://openalex.org/I11559806","https://openalex.org/I277688954","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]},{"raw_affiliation_string":"IMPMC, UMR 7590 of Sorbonne Universit\u00e9/CNRS/MNHN/IRD, Paris, France","institution_ids":["https://openalex.org/I4210145605","https://openalex.org/I39804081","https://openalex.org/I4210166444","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108368862","display_name":"Jean-Michel Beuken","orcid":null},"institutions":[{"id":"https://openalex.org/I4210130123","display_name":"European Theoretical Spectroscopy Facility","ror":"https://ror.org/0390vgx68","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210130123"]},{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Jean-Michel Beuken","raw_affiliation_strings":["European Theoretical Spectroscopy Facility, Belgium","Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"European Theoretical Spectroscopy Facility, Belgium","institution_ids":["https://openalex.org/I4210130123"]},{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055207786","display_name":"Jordan Bieder","orcid":"https://orcid.org/0000-0003-1327-7781"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]},{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["BE","FR"],"is_corresponding":false,"raw_author_name":"Jordan Bieder","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France","Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031544598","display_name":"Fran\u00e7ois Bottin","orcid":"https://orcid.org/0000-0001-6556-0445"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Fran\u00e7ois Bottin","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040748957","display_name":"J. Bouchet","orcid":"https://orcid.org/0000-0003-1238-8682"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Johann Bouchet","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038027280","display_name":"\u00c9ric Bousquet","orcid":"https://orcid.org/0000-0002-9290-3463"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Eric Bousquet","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063213530","display_name":"Nils Brouwer","orcid":null},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Nils Brouwer","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065419047","display_name":"Fabien Bruneval","orcid":"https://orcid.org/0000-0003-0885-8960"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I277688954","display_name":"Universit\u00e9 Paris-Saclay","ror":"https://ror.org/03xjwb503","country_code":"FR","type":"education","lineage":["https://openalex.org/I277688954"]},{"id":"https://openalex.org/I4210127723","display_name":"Direction des Energies","ror":"https://ror.org/03cwzta72","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131","https://openalex.org/I4210127723"]},{"id":"https://openalex.org/I4210128565","display_name":"CEA Paris-Saclay","ror":"https://ror.org/03n15ch10","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131","https://openalex.org/I277688954","https://openalex.org/I4210128565"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Fabien Bruneval","raw_affiliation_strings":["DEN, Service de Recherches de Mtallurgie Physique, CEA, Universit Paris-Saclay, F-91191 Gif-sur Yvette, France","DEN, Service de Recherches de M\u00e9tallurgie Physique, CEA, Universit\u00e9 Paris-Saclay, F-91191 Gif-sur Yvette, France"],"affiliations":[{"raw_affiliation_string":"DEN, Service de Recherches de Mtallurgie Physique, CEA, Universit Paris-Saclay, F-91191 Gif-sur Yvette, France","institution_ids":["https://openalex.org/I277688954","https://openalex.org/I2738703131","https://openalex.org/I4210127723","https://openalex.org/I4210128565"]},{"raw_affiliation_string":"DEN, Service de Recherches de M\u00e9tallurgie Physique, CEA, Universit\u00e9 Paris-Saclay, F-91191 Gif-sur Yvette, France","institution_ids":["https://openalex.org/I277688954","https://openalex.org/I2738703131","https://openalex.org/I4210128565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033859441","display_name":"Guillaume Brunin","orcid":"https://orcid.org/0000-0002-5685-4668"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Guillaume Brunin","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043374696","display_name":"Th\u00e9o Cavignac","orcid":"https://orcid.org/0000-0002-0409-9875"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Th\u00e9o Cavignac","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062859735","display_name":"Jean-Baptiste Charraud","orcid":"https://orcid.org/0000-0002-3569-903X"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Jean-Baptiste Charraud","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056052237","display_name":"Wei Chen","orcid":"https://orcid.org/0000-0002-7496-0341"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Wei Chen","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076632634","display_name":"Michel C\u00f4t\u00e9","orcid":"https://orcid.org/0000-0001-9046-9491"},"institutions":[{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Michel C\u00f4t\u00e9","raw_affiliation_strings":["D\u00e9partement de Physique, Universit\u00e9 de Montr\u00e9al, C.P. 6128, Succursale Centre-Ville, Montr\u00e9al H3C 3J7, Canada"],"affiliations":[{"raw_affiliation_string":"D\u00e9partement de Physique, Universit\u00e9 de Montr\u00e9al, C.P. 6128, Succursale Centre-Ville, Montr\u00e9al H3C 3J7, Canada","institution_ids":["https://openalex.org/I70931966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086257489","display_name":"Stefaan Cottenier","orcid":"https://orcid.org/0000-0003-2541-8043"},"institutions":[{"id":"https://openalex.org/I32597200","display_name":"Ghent University","ror":"https://ror.org/00cv9y106","country_code":"BE","type":"education","lineage":["https://openalex.org/I32597200"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Stefaan Cottenier","raw_affiliation_strings":["Center for Molecular Modeling, Ghent University, Technologiepark 46, B-9052 Zwijnaarde, Belgium","Department of Electrical Energy, Metals, Mechanical Constructions and Systems, Ghent University, Technologiepark 46, B-9052 Zwijnaarde, Belgium"],"affiliations":[{"raw_affiliation_string":"Center for Molecular Modeling, Ghent University, Technologiepark 46, B-9052 Zwijnaarde, Belgium","institution_ids":["https://openalex.org/I32597200"]},{"raw_affiliation_string":"Department of Electrical Energy, Metals, Mechanical Constructions and Systems, Ghent University, Technologiepark 46, B-9052 Zwijnaarde, Belgium","institution_ids":["https://openalex.org/I32597200"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057084022","display_name":"Jules Denier","orcid":null},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Jules Denier","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072295244","display_name":"Gr\u00e9gory Geneste","orcid":"https://orcid.org/0000-0002-1573-4221"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Gr\u00e9gory Geneste","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044060994","display_name":"Philippe Ghosez","orcid":"https://orcid.org/0000-0002-9904-0584"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Philippe Ghosez","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072458070","display_name":"Matteo Giantomassi","orcid":"https://orcid.org/0000-0002-7007-9813"},"institutions":[{"id":"https://openalex.org/I4210130123","display_name":"European Theoretical Spectroscopy Facility","ror":"https://ror.org/0390vgx68","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210130123"]},{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Matteo Giantomassi","raw_affiliation_strings":["European Theoretical Spectroscopy Facility, Belgium","Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"European Theoretical Spectroscopy Facility, Belgium","institution_ids":["https://openalex.org/I4210130123"]},{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052451224","display_name":"Yannick Gillet","orcid":"https://orcid.org/0000-0001-6201-0317"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Yannick Gillet","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052977406","display_name":"Olivier Gingras","orcid":"https://orcid.org/0000-0003-3970-6273"},"institutions":[{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Olivier Gingras","raw_affiliation_strings":["Dpartement de Physique, Universit de Montral, C.P. 6128, Succursale Centre-Ville, Montral H3C 3J7, Canada","D\u00e9partement de Physique, Universit\u00e9 de Montr\u00e9al, C.P. 6128, Succursale Centre-Ville, Montr\u00e9al H3C 3J7, Canada"],"affiliations":[{"raw_affiliation_string":"Dpartement de Physique, Universit de Montral, C.P. 6128, Succursale Centre-Ville, Montral H3C 3J7, Canada","institution_ids":["https://openalex.org/I70931966"]},{"raw_affiliation_string":"D\u00e9partement de Physique, Universit\u00e9 de Montr\u00e9al, C.P. 6128, Succursale Centre-Ville, Montr\u00e9al H3C 3J7, Canada","institution_ids":["https://openalex.org/I70931966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035369167","display_name":"D. R. Hamann","orcid":null},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Donald R. Hamann","raw_affiliation_strings":["Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854-8019, USA","Mat-Sim Research LLC, P.O. Box 742, Murray Hill, NJ, 07974, USA"],"affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854-8019, USA","institution_ids":["https://openalex.org/I102322142"]},{"raw_affiliation_string":"Mat-Sim Research LLC, P.O. Box 742, Murray Hill, NJ, 07974, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027208775","display_name":"Geoffroy Hautier","orcid":"https://orcid.org/0000-0003-1754-2220"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Geoffroy Hautier","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042729829","display_name":"Xu He","orcid":"https://orcid.org/0000-0003-4437-0567"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]},{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]}],"countries":["BE","CA"],"is_corresponding":false,"raw_author_name":"Xu He","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","D\u00e9partement de Physique, Universit\u00e9 de Montr\u00e9al, C.P. 6128, Succursale Centre-Ville, Montr\u00e9al H3C 3J7, Canada"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"D\u00e9partement de Physique, Universit\u00e9 de Montr\u00e9al, C.P. 6128, Succursale Centre-Ville, Montr\u00e9al H3C 3J7, Canada","institution_ids":["https://openalex.org/I70931966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026448737","display_name":"N. Helbig","orcid":"https://orcid.org/0000-0002-5786-9976"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]},{"id":"https://openalex.org/I4210130123","display_name":"European Theoretical Spectroscopy Facility","ror":"https://ror.org/0390vgx68","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210130123"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Nicole Helbig","raw_affiliation_strings":["European Theoretical Spectroscopy Facility, Belgium","Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"European Theoretical Spectroscopy Facility, Belgium","institution_ids":["https://openalex.org/I4210130123"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063586650","display_name":"N. A. W. Holzwarth","orcid":"https://orcid.org/0000-0001-5492-0660"},"institutions":[{"id":"https://openalex.org/I47251452","display_name":"Wake Forest University","ror":"https://ror.org/0207ad724","country_code":"US","type":"education","lineage":["https://openalex.org/I47251452"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Natalie Holzwarth","raw_affiliation_strings":["Department of Physics, Wake Forest University, Winston-Salem, NC 27109, USA"],"affiliations":[{"raw_affiliation_string":"Department of Physics, Wake Forest University, Winston-Salem, NC 27109, USA","institution_ids":["https://openalex.org/I47251452"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072058480","display_name":"Yongchao Jia","orcid":"https://orcid.org/0000-0002-7319-9546"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Yongchao Jia","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016807158","display_name":"F. Jollet","orcid":null},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Fran\u00e7ois Jollet","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026578216","display_name":"William Lafargue\u2010Dit\u2010Hauret","orcid":null},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"William Lafargue-Dit-Hauret","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044049113","display_name":"Kurt Lejaeghere","orcid":"https://orcid.org/0000-0002-4462-8209"},"institutions":[{"id":"https://openalex.org/I32597200","display_name":"Ghent University","ror":"https://ror.org/00cv9y106","country_code":"BE","type":"education","lineage":["https://openalex.org/I32597200"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Kurt Lejaeghere","raw_affiliation_strings":["Center for Molecular Modeling, Ghent University, Technologiepark 46, B-9052 Zwijnaarde, Belgium"],"affiliations":[{"raw_affiliation_string":"Center for Molecular Modeling, Ghent University, Technologiepark 46, B-9052 Zwijnaarde, Belgium","institution_ids":["https://openalex.org/I32597200"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052107166","display_name":"Miguel A. L. Marques","orcid":"https://orcid.org/0000-0003-0170-8222"},"institutions":[{"id":"https://openalex.org/I68956291","display_name":"Martin Luther University Halle-Wittenberg","ror":"https://ror.org/05gqaka33","country_code":"DE","type":"education","lineage":["https://openalex.org/I68956291"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Miguel A.L. Marques","raw_affiliation_strings":["Institut fr Physik, Martin-Luther-Universitt Halle-Wittenberg, Halle, Saale, 06120, Germany","Institut f\u00fcr Physik, Martin-Luther-Universit\u00e4t Halle-Wittenberg, Halle, Saale, 06120, Germany"],"affiliations":[{"raw_affiliation_string":"Institut fr Physik, Martin-Luther-Universitt Halle-Wittenberg, Halle, Saale, 06120, Germany","institution_ids":["https://openalex.org/I68956291"]},{"raw_affiliation_string":"Institut f\u00fcr Physik, Martin-Luther-Universit\u00e4t Halle-Wittenberg, Halle, Saale, 06120, Germany","institution_ids":["https://openalex.org/I68956291"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090307979","display_name":"Alexandre Martin","orcid":"https://orcid.org/0000-0003-2216-2468"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]},{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["BE","FR"],"is_corresponding":false,"raw_author_name":"Alexandre Martin","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France","Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037411586","display_name":"Cyril Martins","orcid":"https://orcid.org/0000-0002-4337-8631"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Cyril Martins","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090169112","display_name":"Henrique Miranda","orcid":"https://orcid.org/0000-0002-2843-0876"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Henrique P.C. Miranda","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048544942","display_name":"Francesco Naccarato","orcid":null},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Francesco Naccarato","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037535334","display_name":"Kristin A. Persson","orcid":"https://orcid.org/0000-0003-2495-5509"},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kristin Persson","raw_affiliation_strings":["Department of Materials Science and Engineering, University of California, Berkeley, CA 94720, USA","Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA"],"affiliations":[{"raw_affiliation_string":"Department of Materials Science and Engineering, University of California, Berkeley, CA 94720, USA","institution_ids":["https://openalex.org/I95457486"]},{"raw_affiliation_string":"Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009212046","display_name":"Guido Petretto","orcid":"https://orcid.org/0000-0001-7220-5417"},"institutions":[{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Guido Petretto","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025733646","display_name":"Valentin Planes","orcid":null},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Valentin Planes","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082006028","display_name":"Yann Pouillon","orcid":"https://orcid.org/0000-0001-9850-2129"},"institutions":[{"id":"https://openalex.org/I13134134","display_name":"Universidad de Cantabria","ror":"https://ror.org/046ffzj20","country_code":"ES","type":"education","lineage":["https://openalex.org/I13134134"]},{"id":"https://openalex.org/I4210130123","display_name":"European Theoretical Spectroscopy Facility","ror":"https://ror.org/0390vgx68","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210130123"]}],"countries":["BE","ES"],"is_corresponding":false,"raw_author_name":"Yann Pouillon","raw_affiliation_strings":["Departamento de Ciencias de la Tierra y Fsica de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, 39005 Santander, Spain","European Theoretical Spectroscopy Facility, Belgium","Departamento de Ciencias de la Tierra y F\u00edsica de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, 39005 Santander, Spain"],"affiliations":[{"raw_affiliation_string":"Departamento de Ciencias de la Tierra y Fsica de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, 39005 Santander, Spain","institution_ids":["https://openalex.org/I13134134"]},{"raw_affiliation_string":"European Theoretical Spectroscopy Facility, Belgium","institution_ids":["https://openalex.org/I4210130123"]},{"raw_affiliation_string":"Departamento de Ciencias de la Tierra y F\u00edsica de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, 39005 Santander, Spain","institution_ids":["https://openalex.org/I13134134"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018364791","display_name":"Sergei Prokhorenko","orcid":"https://orcid.org/0000-0003-3911-0795"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Sergei Prokhorenko","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073115308","display_name":"Fabio Ricci","orcid":"https://orcid.org/0000-0002-6857-2115"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Fabio Ricci","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085863268","display_name":"Gian\u2010Marco Rignanese","orcid":"https://orcid.org/0000-0002-1422-1205"},"institutions":[{"id":"https://openalex.org/I4210130123","display_name":"European Theoretical Spectroscopy Facility","ror":"https://ror.org/0390vgx68","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210130123"]},{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Gian-Marco Rignanese","raw_affiliation_strings":["European Theoretical Spectroscopy Facility, Belgium","Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"European Theoretical Spectroscopy Facility, Belgium","institution_ids":["https://openalex.org/I4210130123"]},{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064664549","display_name":"A. Romero","orcid":"https://orcid.org/0000-0001-5968-0571"},"institutions":[{"id":"https://openalex.org/I12097938","display_name":"West Virginia University","ror":"https://ror.org/011vxgd24","country_code":"US","type":"education","lineage":["https://openalex.org/I12097938"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Aldo H. Romero","raw_affiliation_strings":["Physics Department, West Virginia University, Morgantown, USA"],"affiliations":[{"raw_affiliation_string":"Physics Department, West Virginia University, Morgantown, USA","institution_ids":["https://openalex.org/I12097938"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003659857","display_name":"Micha\u00ebl Schmitt","orcid":"https://orcid.org/0000-0002-7386-8092"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Michael Marcus Schmitt","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041302375","display_name":"Marc Torrent","orcid":"https://orcid.org/0000-0003-4171-3165"},"institutions":[{"id":"https://openalex.org/I2738703131","display_name":"Commissariat \u00e0 l'\u00c9nergie Atomique et aux \u00c9nergies Alternatives","ror":"https://ror.org/00jjx8s55","country_code":"FR","type":"government","lineage":["https://openalex.org/I2738703131"]},{"id":"https://openalex.org/I4210101455","display_name":"CEA DAM \u00cele-de-France","ror":"https://ror.org/00kn4eb29","country_code":"FR","type":"government","lineage":["https://openalex.org/I4210101455"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Marc Torrent","raw_affiliation_strings":["CEA DAM-DIF, F-91297 Arpajon, France"],"affiliations":[{"raw_affiliation_string":"CEA DAM-DIF, F-91297 Arpajon, France","institution_ids":["https://openalex.org/I4210101455","https://openalex.org/I2738703131"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063969731","display_name":"Michiel J. van Setten","orcid":"https://orcid.org/0000-0003-0557-5260"},"institutions":[{"id":"https://openalex.org/I4210130123","display_name":"European Theoretical Spectroscopy Facility","ror":"https://ror.org/0390vgx68","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210130123"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Michiel J. van Setten","raw_affiliation_strings":["European Theoretical Spectroscopy Facility, Belgium"],"affiliations":[{"raw_affiliation_string":"European Theoretical Spectroscopy Facility, Belgium","institution_ids":["https://openalex.org/I4210130123"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058130966","display_name":"Beno\u00eet Van Troeye","orcid":"https://orcid.org/0000-0003-2073-1188"},"institutions":[{"id":"https://openalex.org/I129902397","display_name":"Dalhousie University","ror":"https://ror.org/01e6qks80","country_code":"CA","type":"education","lineage":["https://openalex.org/I129902397"]},{"id":"https://openalex.org/I4210114974","display_name":"IMEC","ror":"https://ror.org/02kcbn207","country_code":"BE","type":"nonprofit","lineage":["https://openalex.org/I4210114974"]},{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE","CA"],"is_corresponding":false,"raw_author_name":"Benoit Van Troeye","raw_affiliation_strings":["Imec, Kapeldreef 75, B-3001 Leuven, Belgium","Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","Department of Chemistry and Clean Technologies Research Institute, Dalhousie University, Halifax, Canada"],"affiliations":[{"raw_affiliation_string":"Imec, Kapeldreef 75, B-3001 Leuven, Belgium","institution_ids":["https://openalex.org/I4210114974"]},{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]},{"raw_affiliation_string":"Department of Chemistry and Clean Technologies Research Institute, Dalhousie University, Halifax, Canada","institution_ids":["https://openalex.org/I129902397"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082063247","display_name":"Matthieu J. Verstraete","orcid":"https://orcid.org/0000-0001-6921-5163"},"institutions":[{"id":"https://openalex.org/I157674565","display_name":"University of Li\u00e8ge","ror":"https://ror.org/00afp2z80","country_code":"BE","type":"education","lineage":["https://openalex.org/I157674565"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Matthieu J. Verstraete","raw_affiliation_strings":["Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium"],"affiliations":[{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Lige, Belgium","institution_ids":["https://openalex.org/I157674565"]},{"raw_affiliation_string":"Q-MAT Center, CESAM Research Unit, University of Li\u00e8ge, Belgium","institution_ids":["https://openalex.org/I157674565"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053342707","display_name":"G. Z\u00e9rah","orcid":null},"institutions":[{"id":"https://openalex.org/I129902397","display_name":"Dalhousie University","ror":"https://ror.org/01e6qks80","country_code":"CA","type":"education","lineage":["https://openalex.org/I129902397"]},{"id":"https://openalex.org/I4210114974","display_name":"IMEC","ror":"https://ror.org/02kcbn207","country_code":"BE","type":"nonprofit","lineage":["https://openalex.org/I4210114974"]},{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE","CA"],"is_corresponding":false,"raw_author_name":"Gilles Z\u00e9rah","raw_affiliation_strings":["Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","Imec, Kapeldreef 75, B-3001 Leuven, Belgium","Department of Chemistry and Clean Technologies Research Institute, Dalhousie University, Halifax, Canada"],"affiliations":[{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]},{"raw_affiliation_string":"Imec, Kapeldreef 75, B-3001 Leuven, Belgium","institution_ids":["https://openalex.org/I4210114974"]},{"raw_affiliation_string":"Department of Chemistry and Clean Technologies Research Institute, Dalhousie University, Halifax, Canada","institution_ids":["https://openalex.org/I129902397"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5030632996","display_name":"Josef W. Zwanziger","orcid":"https://orcid.org/0000-0001-9999-7469"},"institutions":[{"id":"https://openalex.org/I129902397","display_name":"Dalhousie University","ror":"https://ror.org/01e6qks80","country_code":"CA","type":"education","lineage":["https://openalex.org/I129902397"]},{"id":"https://openalex.org/I4210114974","display_name":"IMEC","ror":"https://ror.org/02kcbn207","country_code":"BE","type":"nonprofit","lineage":["https://openalex.org/I4210114974"]},{"id":"https://openalex.org/I95674353","display_name":"UCLouvain","ror":"https://ror.org/02495e989","country_code":"BE","type":"education","lineage":["https://openalex.org/I95674353"]}],"countries":["BE","CA"],"is_corresponding":false,"raw_author_name":"Josef W. Zwanziger","raw_affiliation_strings":["Imec, Kapeldreef 75, B-3001 Leuven, Belgium","Department of Chemistry and Clean Technologies Research Institute, Dalhousie University, Halifax, Canada","Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium"],"affiliations":[{"raw_affiliation_string":"Imec, Kapeldreef 75, B-3001 Leuven, Belgium","institution_ids":["https://openalex.org/I4210114974"]},{"raw_affiliation_string":"Department of Chemistry and Clean Technologies Research Institute, Dalhousie University, Halifax, Canada","institution_ids":["https://openalex.org/I129902397"]},{"raw_affiliation_string":"Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium","institution_ids":["https://openalex.org/I95674353"]}]}],"institutions":[],"countries_distinct_count":6,"institutions_distinct_count":53,"corresponding_author_ids":["https://openalex.org/A5073176584"],"corresponding_institution_ids":["https://openalex.org/I4210130123","https://openalex.org/I95674353"],"apc_list":{"value":3670,"currency":"USD","value_usd":3670},"apc_paid":{"value":3670,"currency":"USD","value_usd":3670},"fwci":21.528,"has_fulltext":true,"cited_by_count":699,"citation_normalized_percentile":{"value":0.99810072,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"248","issue":null,"first_page":"107042","last_page":"107042"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12588","display_name":"Electronic and Structural Properties of Oxides","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/T12588","display_name":"Electronic and Structural Properties of Oxides","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/T11341","display_name":"Boron and Carbon Nanomaterials Research","score":0.9995999932289124,"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":0.9994000196456909,"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/python","display_name":"Python (programming language)","score":0.5847147107124329},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5414630770683289},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.18423473834991455}],"concepts":[{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.5847147107124329},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5414630770683289},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.18423473834991455}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.1016/j.cpc.2019.107042","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.cpc.2019.107042","pdf_url":"https://www.sciencedirect.com/science/article/am/pii/S0010465519303741?via%3Dihub","source":{"id":"https://openalex.org/S142305363","display_name":"Computer Physics Communications","issn_l":"0010-4655","issn":["0010-4655","1879-2944"],"is_oa":false,"is_in_doaj":false,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computer Physics Communications","raw_type":"journal-article"},{"id":"pmh:oai:HAL:cea-02495973v1","is_oa":false,"landing_page_url":"https://cea.hal.science/cea-02495973","pdf_url":null,"source":{"id":"https://openalex.org/S4406922466","display_name":"SPIRE - Sciences Po Institutional REpository","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":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computer Physics Communications, 2020, 248, pp.107042. ⟨10.1016/j.cpc.2019.107042⟩","raw_type":"Journal articles"},{"id":"pmh:oai:archive.ugent.be:8730964","is_oa":false,"landing_page_url":"https://biblio.ugent.be/publication/8730964","pdf_url":null,"source":{"id":"https://openalex.org/S4306400478","display_name":"Ghent University Academic Bibliography (Ghent University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I32597200","host_organization_name":"Ghent University","host_organization_lineage":["https://openalex.org/I32597200"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ISSN: 1879-2944","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:dial.uclouvain.be:boreal:225653","is_oa":true,"landing_page_url":"http://hdl.handle.net/2078.1/225653","pdf_url":null,"source":{"id":"https://openalex.org/S4306401902","display_name":"Digital Access to Libraries (Universit\u00e9 catholique de Louvain (UCL), l'Universit\u00e9 de Namur (UNamur) and the Universit\u00e9 Saint-Louis (USL-B))","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I95674353","host_organization_name":"UCLouvain","host_organization_lineage":["https://openalex.org/I95674353"],"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":"Computer Physics Communications, Vol. 248, no.-, p. 107042 (2020)","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:orbi.ulg.ac.be:2268/252279","is_oa":false,"landing_page_url":"https://orbi.uliege.be/handle/2268/252279","pdf_url":null,"source":{"id":"https://openalex.org/S4306400651","display_name":"Open Repository and Bibliography (University of Li\u00e8ge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I157674565","host_organization_name":"University of Li\u00e8ge","host_organization_lineage":["https://openalex.org/I157674565"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computer Physics Communications, 248, 107042 (2020)","raw_type":"peer reviewed"},{"id":"pmh:oai:osti.gov:1703136","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1703136","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":""}],"best_oa_location":{"id":"doi:10.1016/j.cpc.2019.107042","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.cpc.2019.107042","pdf_url":"https://www.sciencedirect.com/science/article/am/pii/S0010465519303741?via%3Dihub","source":{"id":"https://openalex.org/S142305363","display_name":"Computer Physics Communications","issn_l":"0010-4655","issn":["0010-4655","1879-2944"],"is_oa":false,"is_in_doaj":false,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computer Physics Communications","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320314000","display_name":"Compute Canada","ror":"https://ror.org/03ty8yr27"},{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"},{"id":"https://openalex.org/F4320321390","display_name":"Fonds De La Recherche Scientifique - FNRS","ror":"https://ror.org/03q83t159"},{"id":"https://openalex.org/F4320321584","display_name":"F\u00e9d\u00e9ration Wallonie-Bruxelles","ror":"https://ror.org/04q01pf08"},{"id":"https://openalex.org/F4320321730","display_name":"Fonds Wetenschappelijk Onderzoek","ror":"https://ror.org/03qtxy027"},{"id":"https://openalex.org/F4320327336","display_name":"Vlaamse regering","ror":null},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320334593","display_name":"Natural Sciences and Engineering Research Council of Canada","ror":"https://ror.org/01h531d29"},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2984866711.pdf","grobid_xml":"https://content.openalex.org/works/W2984866711.grobid-xml"},"referenced_works_count":193,"referenced_works":["https://openalex.org/W1215246165","https://openalex.org/W1542444890","https://openalex.org/W1550186202","https://openalex.org/W1555531562","https://openalex.org/W1614843501","https://openalex.org/W1708984004","https://openalex.org/W1776355214","https://openalex.org/W1784477143","https://openalex.org/W1785129319","https://openalex.org/W1795257549","https://openalex.org/W1798528872","https://openalex.org/W1867180443","https://openalex.org/W1930906939","https://openalex.org/W1964746686","https://openalex.org/W1965673606","https://openalex.org/W1970786684","https://openalex.org/W1973250303","https://openalex.org/W1974182654","https://openalex.org/W1974755878","https://openalex.org/W1976008838","https://openalex.org/W1979321484","https://openalex.org/W1982722563","https://openalex.org/W1982952953","https://openalex.org/W1985047853","https://openalex.org/W1986081941","https://openalex.org/W1988150410","https://openalex.org/W1988187231","https://openalex.org/W1989189515","https://openalex.org/W1989954305","https://openalex.org/W1991006541","https://openalex.org/W1992985800","https://openalex.org/W1998074642","https://openalex.org/W1998524463","https://openalex.org/W1999392367","https://openalex.org/W2003162555","https://openalex.org/W2003597232","https://openalex.org/W2004115981","https://openalex.org/W2004117188","https://openalex.org/W2006455887","https://openalex.org/W2007060407","https://openalex.org/W2008015430","https://openalex.org/W2009501291","https://openalex.org/W2013183108","https://openalex.org/W2015197254","https://openalex.org/W2015421649","https://openalex.org/W2017645992","https://openalex.org/W2018114878","https://openalex.org/W2019266755","https://openalex.org/W2023861251","https://openalex.org/W2025162511","https://openalex.org/W2025444507","https://openalex.org/W2028879953","https://openalex.org/W2030189189","https://openalex.org/W2030330123","https://openalex.org/W2030976617","https://openalex.org/W2032151293","https://openalex.org/W2033787161","https://openalex.org/W2033810988","https://openalex.org/W2034446879","https://openalex.org/W2035223648","https://openalex.org/W2039414855","https://openalex.org/W2041387001","https://openalex.org/W2041893040","https://openalex.org/W2043503887","https://openalex.org/W2044028691","https://openalex.org/W2044088510","https://openalex.org/W2044095971","https://openalex.org/W2044591029","https://openalex.org/W2045473123","https://openalex.org/W2050890866","https://openalex.org/W2051669046","https://openalex.org/W2051923595","https://openalex.org/W2052190297","https://openalex.org/W2057767191","https://openalex.org/W2058813970","https://openalex.org/W2059448777","https://openalex.org/W2062026141","https://openalex.org/W2067238099","https://openalex.org/W2067328332","https://openalex.org/W2068539538","https://openalex.org/W2069194786","https://openalex.org/W2072214942","https://openalex.org/W2073727874","https://openalex.org/W2078330402","https://openalex.org/W2078920249","https://openalex.org/W2080388058","https://openalex.org/W2081381112","https://openalex.org/W2081870935","https://openalex.org/W2083372231","https://openalex.org/W2083415705","https://openalex.org/W2084895780","https://openalex.org/W2092157292","https://openalex.org/W2096747776","https://openalex.org/W2104757784","https://openalex.org/W2107971449","https://openalex.org/W2108461878","https://openalex.org/W2117830338","https://openalex.org/W2119333964","https://openalex.org/W2121624572","https://openalex.org/W2122045419","https://openalex.org/W2122617276","https://openalex.org/W2123306226","https://openalex.org/W2129311468","https://openalex.org/W2133827549","https://openalex.org/W2138424291","https://openalex.org/W2139717429","https://openalex.org/W2142274086","https://openalex.org/W2148528267","https://openalex.org/W2148678374","https://openalex.org/W2149545287","https://openalex.org/W2155407946","https://openalex.org/W2156635854","https://openalex.org/W2159675211","https://openalex.org/W2159795178","https://openalex.org/W2161516432","https://openalex.org/W2164805481","https://openalex.org/W2165768408","https://openalex.org/W2169740476","https://openalex.org/W2175014010","https://openalex.org/W2180316506","https://openalex.org/W2215629923","https://openalex.org/W2218473671","https://openalex.org/W2230728100","https://openalex.org/W2252488112","https://openalex.org/W2257511720","https://openalex.org/W2270536778","https://openalex.org/W2310390902","https://openalex.org/W2310703973","https://openalex.org/W2313954812","https://openalex.org/W2317761187","https://openalex.org/W2324925951","https://openalex.org/W2334152356","https://openalex.org/W2334905286","https://openalex.org/W2340739447","https://openalex.org/W2341951168","https://openalex.org/W2344473348","https://openalex.org/W2397921377","https://openalex.org/W2402109970","https://openalex.org/W2480861375","https://openalex.org/W2494566811","https://openalex.org/W2509306678","https://openalex.org/W2509333743","https://openalex.org/W2518696367","https://openalex.org/W2521202181","https://openalex.org/W2527725331","https://openalex.org/W2536240516","https://openalex.org/W2562389978","https://openalex.org/W2582470991","https://openalex.org/W2588949994","https://openalex.org/W2591585126","https://openalex.org/W2615543484","https://openalex.org/W2620308108","https://openalex.org/W2728961284","https://openalex.org/W2728984672","https://openalex.org/W2732496134","https://openalex.org/W2735806552","https://openalex.org/W2737479523","https://openalex.org/W2740938511","https://openalex.org/W2741441300","https://openalex.org/W2742492277","https://openalex.org/W2757878424","https://openalex.org/W2757964775","https://openalex.org/W2766564518","https://openalex.org/W2767003881","https://openalex.org/W2767044503","https://openalex.org/W2769331892","https://openalex.org/W2778086665","https://openalex.org/W2783792602","https://openalex.org/W2801006326","https://openalex.org/W2888144435","https://openalex.org/W2902409733","https://openalex.org/W2902633295","https://openalex.org/W2905087842","https://openalex.org/W2909123062","https://openalex.org/W2920009550","https://openalex.org/W2930452039","https://openalex.org/W2962794470","https://openalex.org/W2963132865","https://openalex.org/W2979382431","https://openalex.org/W3010258556","https://openalex.org/W3012430735","https://openalex.org/W3098710652","https://openalex.org/W3101732877","https://openalex.org/W3103566548","https://openalex.org/W3103887024","https://openalex.org/W3104406349","https://openalex.org/W3104972808","https://openalex.org/W3105924790","https://openalex.org/W3216022061","https://openalex.org/W4234772336","https://openalex.org/W4239959335","https://openalex.org/W4240440899","https://openalex.org/W4247612409"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2341492732","https://openalex.org/W3187193180","https://openalex.org/W106542691","https://openalex.org/W1699080303","https://openalex.org/W4297799326","https://openalex.org/W3116064965","https://openalex.org/W4287027380"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":16},{"year":2025,"cited_by_count":162},{"year":2024,"cited_by_count":133},{"year":2023,"cited_by_count":152},{"year":2022,"cited_by_count":103},{"year":2021,"cited_by_count":80},{"year":2020,"cited_by_count":51},{"year":2019,"cited_by_count":2}],"updated_date":"2026-03-10T16:38:18.471706","created_date":"2025-10-10T00:00:00"}