{"id":"https://openalex.org/W2947256549","doi":"https://doi.org/10.1021/acs.jcim.8b00951","title":"Implementation of the Molecular Electrostatic Potential over Graphics Processing Units","display_name":"Implementation of the Molecular Electrostatic Potential over Graphics Processing Units","publication_year":2019,"publication_date":"2019-05-30","ids":{"openalex":"https://openalex.org/W2947256549","doi":"https://doi.org/10.1021/acs.jcim.8b00951","mag":"2947256549","pmid":"https://pubmed.ncbi.nlm.nih.gov/31145605"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.8b00951","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00951","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5102870598","display_name":"Julio C\u00e9sar Cruz","orcid":"https://orcid.org/0000-0002-3608-1733"},"institutions":[{"id":"https://openalex.org/I200362191","display_name":"Universidad Aut\u00f3noma Metropolitana","ror":"https://ror.org/02kta5139","country_code":"MX","type":"education","lineage":["https://openalex.org/I200362191"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"J. C\u00e9sar Cruz","raw_affiliation_strings":["Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico","institution_ids":["https://openalex.org/I200362191"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024432356","display_name":"Raymundo Hern\u00e1ndez\u2010Esparza","orcid":"https://orcid.org/0000-0002-0534-369X"},"institutions":[{"id":"https://openalex.org/I200362191","display_name":"Universidad Aut\u00f3noma Metropolitana","ror":"https://ror.org/02kta5139","country_code":"MX","type":"education","lineage":["https://openalex.org/I200362191"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Raymundo Hern\u00e1ndez-Esparza","raw_affiliation_strings":["Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico","institution_ids":["https://openalex.org/I200362191"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046259488","display_name":"\u00c1lvaro V\u00e1zquez\u2010Mayagoitia","orcid":"https://orcid.org/0000-0002-1415-6300"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"\u00c1lvaro V\u00e1zquez-Mayagoitia","raw_affiliation_strings":["Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439, United States"],"affiliations":[{"raw_affiliation_string":"Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439, United States","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059664949","display_name":"Rubicelia Vargas","orcid":"https://orcid.org/0000-0003-0180-5727"},"institutions":[{"id":"https://openalex.org/I200362191","display_name":"Universidad Aut\u00f3noma Metropolitana","ror":"https://ror.org/02kta5139","country_code":"MX","type":"education","lineage":["https://openalex.org/I200362191"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Rubicelia Vargas","raw_affiliation_strings":["Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico","institution_ids":["https://openalex.org/I200362191"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062801558","display_name":"Jorge Garza","orcid":"https://orcid.org/0000-0003-4249-6078"},"institutions":[{"id":"https://openalex.org/I200362191","display_name":"Universidad Aut\u00f3noma Metropolitana","ror":"https://ror.org/02kta5139","country_code":"MX","type":"education","lineage":["https://openalex.org/I200362191"]}],"countries":["MX"],"is_corresponding":true,"raw_author_name":"Jorge Garza","raw_affiliation_strings":["Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica, Divisi\u00f3n de Ciencias B\u00e1sicas e Ingenier\u00eda, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa. C. P. 09340, Ciudad de M\u00e9xico, M\u00e9xico","institution_ids":["https://openalex.org/I200362191"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5062801558"],"corresponding_institution_ids":["https://openalex.org/I200362191"],"apc_list":null,"apc_paid":null,"fwci":1.6652,"has_fulltext":false,"cited_by_count":31,"citation_normalized_percentile":{"value":0.85056914,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"59","issue":"7","first_page":"3120","last_page":"3127"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9980000257492065,"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"}},"topics":[{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11520","display_name":"Advanced Thermodynamics and Statistical Mechanics","score":0.9919999837875366,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10622","display_name":"Quantum Mechanics and Applications","score":0.9896000027656555,"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/graphics","display_name":"Graphics","score":0.7216039299964905},{"id":"https://openalex.org/keywords/cuda","display_name":"CUDA","score":0.714652955532074},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6584155559539795},{"id":"https://openalex.org/keywords/quantum-chemistry","display_name":"Quantum chemistry","score":0.620052695274353},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.5977032780647278},{"id":"https://openalex.org/keywords/gaussian","display_name":"Gaussian","score":0.5636599063873291},{"id":"https://openalex.org/keywords/thread","display_name":"Thread (computing)","score":0.5239858031272888},{"id":"https://openalex.org/keywords/implementation","display_name":"Implementation","score":0.5169771909713745},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.4960812032222748},{"id":"https://openalex.org/keywords/general-purpose-computing-on-graphics-processing-units","display_name":"General-purpose computing on graphics processing units","score":0.4797405004501343},{"id":"https://openalex.org/keywords/graphics-processing-unit","display_name":"Graphics processing unit","score":0.4268012046813965},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.41417694091796875},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.30382239818573},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2894713282585144},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.2847074568271637},{"id":"https://openalex.org/keywords/computer-graphics","display_name":"Computer graphics (images)","score":0.24047556519508362},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.1626301407814026},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.15261617302894592},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.10973435640335083},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.09375461935997009}],"concepts":[{"id":"https://openalex.org/C21442007","wikidata":"https://www.wikidata.org/wiki/Q1027879","display_name":"Graphics","level":2,"score":0.7216039299964905},{"id":"https://openalex.org/C2778119891","wikidata":"https://www.wikidata.org/wiki/Q477690","display_name":"CUDA","level":2,"score":0.714652955532074},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6584155559539795},{"id":"https://openalex.org/C22994065","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemistry","level":4,"score":0.620052695274353},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.5977032780647278},{"id":"https://openalex.org/C163716315","wikidata":"https://www.wikidata.org/wiki/Q901177","display_name":"Gaussian","level":2,"score":0.5636599063873291},{"id":"https://openalex.org/C138101251","wikidata":"https://www.wikidata.org/wiki/Q213092","display_name":"Thread (computing)","level":2,"score":0.5239858031272888},{"id":"https://openalex.org/C26713055","wikidata":"https://www.wikidata.org/wiki/Q245962","display_name":"Implementation","level":2,"score":0.5169771909713745},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.4960812032222748},{"id":"https://openalex.org/C50630238","wikidata":"https://www.wikidata.org/wiki/Q971505","display_name":"General-purpose computing on graphics processing units","level":3,"score":0.4797405004501343},{"id":"https://openalex.org/C2779851693","wikidata":"https://www.wikidata.org/wiki/Q183484","display_name":"Graphics processing unit","level":2,"score":0.4268012046813965},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.41417694091796875},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.30382239818573},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2894713282585144},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2847074568271637},{"id":"https://openalex.org/C121684516","wikidata":"https://www.wikidata.org/wiki/Q7600677","display_name":"Computer graphics (images)","level":1,"score":0.24047556519508362},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.1626301407814026},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.15261617302894592},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10973435640335083},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.09375461935997009},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003196","descriptor_name":"Computer Graphics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003196","descriptor_name":"Computer Graphics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003196","descriptor_name":"Computer Graphics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.8b00951","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00951","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:31145605","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31145605","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure","score":0.49000000953674316}],"awards":[{"id":"https://openalex.org/G3184569356","display_name":null,"funder_award_id":"283251","funder_id":"https://openalex.org/F4320321739","funder_display_name":"Consejo Nacional de Ciencia y Tecnolog\u00eda"},{"id":"https://openalex.org/G5017083593","display_name":null,"funder_award_id":"FC-2016/2412","funder_id":"https://openalex.org/F4320321739","funder_display_name":"Consejo Nacional de Ciencia y Tecnolog\u00eda"},{"id":"https://openalex.org/G5787275129","display_name":null,"funder_award_id":"620190","funder_id":"https://openalex.org/F4320321739","funder_display_name":"Consejo Nacional de Ciencia y Tecnolog\u00eda"}],"funders":[{"id":"https://openalex.org/F4320321739","display_name":"Consejo Nacional de Ciencia y Tecnolog\u00eda","ror":"https://ror.org/059ex5q34"},{"id":"https://openalex.org/F4320322419","display_name":"Universidad Aut\u00f3noma Metropolitana","ror":"https://ror.org/02kta5139"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":63,"referenced_works":["https://openalex.org/W147939656","https://openalex.org/W164384110","https://openalex.org/W289522783","https://openalex.org/W392440197","https://openalex.org/W1005476206","https://openalex.org/W1031578623","https://openalex.org/W1510739434","https://openalex.org/W1593505867","https://openalex.org/W1645422644","https://openalex.org/W1666183800","https://openalex.org/W1842464660","https://openalex.org/W1965092590","https://openalex.org/W1970303230","https://openalex.org/W1985212850","https://openalex.org/W1990437495","https://openalex.org/W1992043988","https://openalex.org/W2008517160","https://openalex.org/W2013807069","https://openalex.org/W2016047921","https://openalex.org/W2016293616","https://openalex.org/W2022950330","https://openalex.org/W2029130189","https://openalex.org/W2036589043","https://openalex.org/W2063603062","https://openalex.org/W2065963893","https://openalex.org/W2074780248","https://openalex.org/W2075253710","https://openalex.org/W2078391824","https://openalex.org/W2079248026","https://openalex.org/W2081270303","https://openalex.org/W2091971148","https://openalex.org/W2093645425","https://openalex.org/W2130303527","https://openalex.org/W2132525235","https://openalex.org/W2141191373","https://openalex.org/W2145454068","https://openalex.org/W2155417823","https://openalex.org/W2155742788","https://openalex.org/W2169678694","https://openalex.org/W2313752832","https://openalex.org/W2314314147","https://openalex.org/W2333743632","https://openalex.org/W2499071604","https://openalex.org/W2530593922","https://openalex.org/W2548442870","https://openalex.org/W2600072887","https://openalex.org/W2618497730","https://openalex.org/W2715494257","https://openalex.org/W2729342091","https://openalex.org/W2739303631","https://openalex.org/W2765327383","https://openalex.org/W2769894179","https://openalex.org/W2775457254","https://openalex.org/W2794669282","https://openalex.org/W2806100592","https://openalex.org/W2808552697","https://openalex.org/W2810299670","https://openalex.org/W2885384937","https://openalex.org/W2889044204","https://openalex.org/W2891791233","https://openalex.org/W2898274066","https://openalex.org/W2898540742","https://openalex.org/W4243937960"],"related_works":["https://openalex.org/W1963859303","https://openalex.org/W2364044215","https://openalex.org/W2389600408","https://openalex.org/W240129890","https://openalex.org/W3048701459","https://openalex.org/W2149078538","https://openalex.org/W2370314112","https://openalex.org/W1912958759","https://openalex.org/W2792081825","https://openalex.org/W2893308117"],"abstract_inverted_index":{"The":[0,87],"molecular":[1],"electrostatic":[2],"potential":[3],"(MEP)":[4],"generated":[5],"by":[6,91],"quantum":[7,113,132],"chemistry":[8,114,133],"methods":[9],"and":[10,30,69,103],"Gaussian":[11],"functions":[12],"is":[13,22,46,67,78,126],"evaluated":[14],"over":[15,76,85,116],"graphics":[16],"processing":[17],"units":[18],"(GPUs).":[19],"This":[20],"implementation":[21,66,88],"based":[23],"on":[24],"full-range":[25],"Rys":[26],"polynomials":[27],"with":[28,59,82],"nodes":[29],"weights":[31],"obtained":[32],"in":[33,135,140],"each":[34],"thread":[35],"of":[36],"a":[37,49,127],"GPU.":[38],"For":[39],"high":[40],"angular":[41],"moments,":[42],"the":[43,57,73,97,131],"corresponding":[44],"integral":[45],"solved":[47],"using":[48,92],"one-dimension":[50],"vertical":[51],"recurrence":[52],"relation.":[53],"Thus,":[54],"we":[55],"computed":[56],"MEP":[58],"minimal":[60],"approximations.":[61],"We":[62],"show":[63],"that":[64],"this":[65,121],"stable":[68],"very":[70],"efficient":[71],"since":[72],"time":[74],"consumed":[75],"GPUs":[77],"quite":[79],"small":[80],"compared":[81],"similar":[83],"implementations":[84],"CPUs.":[86],"was":[89],"done":[90],"CUDA-C":[93],"programming":[94],"techniques":[95],"within":[96],"Graphics":[98],"Processing":[99],"Units":[100],"for":[101,130,137],"Atoms":[102],"Molecules":[104],"(GPUAM)":[105],"project,":[106],"which":[107],"has":[108],"been":[109],"designed":[110],"to":[111],"analyze":[112],"fields":[115],"heterogeneous":[117],"computational":[118],"resources.":[119],"With":[120],"new":[122],"scalar":[123],"field":[124],"GPUAM":[125],"useful":[128],"application":[129],"community,":[134],"particular":[136],"people":[138],"interested":[139],"chemical":[141],"reactivity":[142],"analysis.":[143]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":1}],"updated_date":"2026-03-07T16:01:11.037858","created_date":"2025-10-10T00:00:00"}