{"id":"https://openalex.org/W2066898005","doi":"https://doi.org/10.1145/1499096.1499099","title":"KSSOLV\u2014a MATLAB toolbox for solving the Kohn-Sham equations","display_name":"KSSOLV\u2014a MATLAB toolbox for solving the Kohn-Sham equations","publication_year":2009,"publication_date":"2009-03-01","ids":{"openalex":"https://openalex.org/W2066898005","doi":"https://doi.org/10.1145/1499096.1499099","mag":"2066898005"},"language":"en","primary_location":{"id":"doi:10.1145/1499096.1499099","is_oa":false,"landing_page_url":"https://doi.org/10.1145/1499096.1499099","pdf_url":null,"source":{"id":"https://openalex.org/S163326656","display_name":"ACM Transactions on Mathematical Software","issn_l":"0098-3500","issn":["0098-3500","1557-7295"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319798","host_organization_name":"Association for Computing Machinery","host_organization_lineage":["https://openalex.org/P4310319798"],"host_organization_lineage_names":["Association for Computing Machinery"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACM Transactions on Mathematical Software","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5077547409","display_name":"Chao Yang","orcid":"https://orcid.org/0000-0001-7172-7539"},"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"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Chao Yang","raw_affiliation_strings":["Lawrence Berkeley National Laboratory, Berkeley, CA"],"affiliations":[{"raw_affiliation_string":"Lawrence Berkeley National Laboratory, Berkeley, CA","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081906566","display_name":"Juan Meza","orcid":"https://orcid.org/0000-0003-4543-0349"},"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"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Juan C. Meza","raw_affiliation_strings":["Lawrence Berkeley National Laboratory, Berkeley, CA"],"affiliations":[{"raw_affiliation_string":"Lawrence Berkeley National Laboratory, Berkeley, CA","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033631003","display_name":"Byounghak Lee","orcid":"https://orcid.org/0000-0002-1690-2493"},"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"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Byounghak Lee","raw_affiliation_strings":["Lawrence Berkeley National Laboratory, Berkeley, CA"],"affiliations":[{"raw_affiliation_string":"Lawrence Berkeley National Laboratory, Berkeley, CA","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5091144208","display_name":"Lin\u2010Wang Wang","orcid":"https://orcid.org/0000-0001-7061-2692"},"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"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lin-Wang Wang","raw_affiliation_strings":["Lawrence Berkeley National Laboratory, Berkeley, CA"],"affiliations":[{"raw_affiliation_string":"Lawrence Berkeley National Laboratory, Berkeley, CA","institution_ids":["https://openalex.org/I148283060"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5077547409"],"corresponding_institution_ids":["https://openalex.org/I148283060"],"apc_list":null,"apc_paid":null,"fwci":1.1184,"has_fulltext":false,"cited_by_count":116,"citation_normalized_percentile":{"value":0.77498715,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"36","issue":"2","first_page":"1","last_page":"35"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9994999766349792,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9994999766349792,"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/T11825","display_name":"Catalysis and Oxidation Reactions","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/1503","display_name":"Catalysis"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/toolbox","display_name":"Toolbox","score":0.8873321413993835},{"id":"https://openalex.org/keywords/matlab","display_name":"MATLAB","score":0.7889405488967896},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6660501956939697},{"id":"https://openalex.org/keywords/coding","display_name":"Coding (social sciences)","score":0.6276662349700928},{"id":"https://openalex.org/keywords/nonlinear-system","display_name":"Nonlinear system","score":0.5968825221061707},{"id":"https://openalex.org/keywords/eigenvalues-and-eigenvectors","display_name":"Eigenvalues and eigenvectors","score":0.5841143131256104},{"id":"https://openalex.org/keywords/kohn\u2013sham-equations","display_name":"Kohn\u2013Sham equations","score":0.5580353736877441},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.47649115324020386},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.44057056307792664},{"id":"https://openalex.org/keywords/class","display_name":"Class (philosophy)","score":0.4310424327850342},{"id":"https://openalex.org/keywords/convergence","display_name":"Convergence (economics)","score":0.4297766387462616},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.4002508819103241},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.36761319637298584},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2246447503566742},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.1945294439792633},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.1906285285949707},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.1365775763988495},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.09038001298904419},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.07429707050323486}],"concepts":[{"id":"https://openalex.org/C2777655017","wikidata":"https://www.wikidata.org/wiki/Q1501161","display_name":"Toolbox","level":2,"score":0.8873321413993835},{"id":"https://openalex.org/C2780365114","wikidata":"https://www.wikidata.org/wiki/Q169478","display_name":"MATLAB","level":2,"score":0.7889405488967896},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6660501956939697},{"id":"https://openalex.org/C179518139","wikidata":"https://www.wikidata.org/wiki/Q5140297","display_name":"Coding (social sciences)","level":2,"score":0.6276662349700928},{"id":"https://openalex.org/C158622935","wikidata":"https://www.wikidata.org/wiki/Q660848","display_name":"Nonlinear system","level":2,"score":0.5968825221061707},{"id":"https://openalex.org/C158693339","wikidata":"https://www.wikidata.org/wiki/Q190524","display_name":"Eigenvalues and eigenvectors","level":2,"score":0.5841143131256104},{"id":"https://openalex.org/C9059619","wikidata":"https://www.wikidata.org/wiki/Q3272140","display_name":"Kohn\u2013Sham equations","level":3,"score":0.5580353736877441},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.47649115324020386},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.44057056307792664},{"id":"https://openalex.org/C2777212361","wikidata":"https://www.wikidata.org/wiki/Q5127848","display_name":"Class (philosophy)","level":2,"score":0.4310424327850342},{"id":"https://openalex.org/C2777303404","wikidata":"https://www.wikidata.org/wiki/Q759757","display_name":"Convergence (economics)","level":2,"score":0.4297766387462616},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4002508819103241},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.36761319637298584},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2246447503566742},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.1945294439792633},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.1906285285949707},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.1365775763988495},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.09038001298904419},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.07429707050323486},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C50522688","wikidata":"https://www.wikidata.org/wiki/Q189833","display_name":"Economic growth","level":1,"score":0.0},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/1499096.1499099","is_oa":false,"landing_page_url":"https://doi.org/10.1145/1499096.1499099","pdf_url":null,"source":{"id":"https://openalex.org/S163326656","display_name":"ACM Transactions on Mathematical Software","issn_l":"0098-3500","issn":["0098-3500","1557-7295"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319798","host_organization_name":"Association for Computing Machinery","host_organization_lineage":["https://openalex.org/P4310319798"],"host_organization_lineage_names":["Association for Computing Machinery"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACM Transactions on Mathematical Software","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.4399999976158142}],"awards":[],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":56,"referenced_works":["https://openalex.org/W84759582","https://openalex.org/W1576347883","https://openalex.org/W1612604502","https://openalex.org/W1625931829","https://openalex.org/W1670470044","https://openalex.org/W1708984004","https://openalex.org/W1760551737","https://openalex.org/W1974333117","https://openalex.org/W1981078764","https://openalex.org/W1981745143","https://openalex.org/W1995469798","https://openalex.org/W1996728110","https://openalex.org/W1997654021","https://openalex.org/W1998366223","https://openalex.org/W2001676859","https://openalex.org/W2007395042","https://openalex.org/W2011379164","https://openalex.org/W2012817868","https://openalex.org/W2013183108","https://openalex.org/W2013467868","https://openalex.org/W2024735648","https://openalex.org/W2025470258","https://openalex.org/W2030976617","https://openalex.org/W2035223648","https://openalex.org/W2045462689","https://openalex.org/W2045512849","https://openalex.org/W2045596260","https://openalex.org/W2046274096","https://openalex.org/W2046434053","https://openalex.org/W2049079467","https://openalex.org/W2050729144","https://openalex.org/W2051142108","https://openalex.org/W2052637367","https://openalex.org/W2055640329","https://openalex.org/W2058853966","https://openalex.org/W2071363955","https://openalex.org/W2076059435","https://openalex.org/W2083222334","https://openalex.org/W2092344142","https://openalex.org/W2098432400","https://openalex.org/W2120901082","https://openalex.org/W2125388135","https://openalex.org/W2134120396","https://openalex.org/W2134572726","https://openalex.org/W2144692620","https://openalex.org/W2160089699","https://openalex.org/W2160919049","https://openalex.org/W2162349032","https://openalex.org/W2166742209","https://openalex.org/W2169650761","https://openalex.org/W2230728100","https://openalex.org/W2798909945","https://openalex.org/W4301491118","https://openalex.org/W4320800818","https://openalex.org/W4377202790","https://openalex.org/W6661513265"],"related_works":["https://openalex.org/W2951256013","https://openalex.org/W4205140848","https://openalex.org/W2068663075","https://openalex.org/W1551885771","https://openalex.org/W2503358070","https://openalex.org/W2377984624","https://openalex.org/W2348740175","https://openalex.org/W4243049533","https://openalex.org/W2372487761","https://openalex.org/W2568266861"],"abstract_inverted_index":{"We":[0],"describe":[1],"the":[2,21,40,62,78,82,90,99,110],"design":[3],"and":[4,48,65,73,109,119,140],"implementation":[5],"of":[6,15,27,45,81,89,101,112,127],"KSSOLV,":[7],"a":[8,13,104],"MATLAB":[9,96],"toolbox":[10,86],"for":[11,38,56,60],"solving":[12,61],"class":[14],"nonlinear":[16],"eigenvalue":[17],"problems":[18,28],"known":[19],"as":[20],"Kohn-Sham":[22,63],"equations":[23,64],".":[24],"These":[25],"types":[26],"arise":[29],"in":[30,71,95],"electronic":[31],"structure":[32],"calculations,":[33],"which":[34],"are":[35],"nowadays":[36],"essential":[37],"studying":[39],"microscopic":[41],"quantum":[42],"mechanical":[43],"properties":[44,80],"molecules,":[46],"solids,":[47],"other":[49,137],"nanoscale":[50],"materials.":[51],"KSSOLV":[52],"is":[53,66,107,123],"well":[54],"suited":[55],"developing":[57],"new":[58,121],"algorithms":[59,122],"designed":[67],"to":[68,76,116,136,144,147],"enable":[69],"researchers":[70],"computational":[72,138],"applied":[74],"mathematics":[75],"investigate":[77],"convergence":[79],"existing":[83],"algorithms.":[84],"The":[85],"makes":[87],"use":[88],"object-oriented":[91],"programming":[92],"features":[93,129],"available":[94],"so":[97],"that":[98],"process":[100],"setting":[102],"up":[103],"physical":[105],"system":[106],"straightforward":[108],"amount":[111],"coding":[113],"effort":[114],"required":[115],"prototype,":[117],"test,":[118],"compare":[120],"significantly":[124],"reduced.":[125],"All":[126],"these":[128],"should":[130],"also":[131],"make":[132],"this":[133],"package":[134],"attractive":[135],"scientists":[139],"students":[141],"who":[142],"wish":[143],"study":[145],"small-":[146],"medium-size":[148],"systems.":[149]},"counts_by_year":[{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":15},{"year":2019,"cited_by_count":8},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":10},{"year":2014,"cited_by_count":8},{"year":2013,"cited_by_count":10},{"year":2012,"cited_by_count":5}],"updated_date":"2026-03-08T08:50:53.379069","created_date":"2025-10-10T00:00:00"}
