{"id":"https://openalex.org/W2006450060","doi":"https://doi.org/10.1002/(sici)1096-987x(199710)18:13<1570::aid-jcc2>3.0.co;2-o","title":"An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation","display_name":"An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation","publication_year":1997,"publication_date":"1997-10-01","ids":{"openalex":"https://openalex.org/W2006450060","doi":"https://doi.org/10.1002/(sici)1096-987x(199710)18:13<1570::aid-jcc2>3.0.co;2-o","mag":"2006450060"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199710)18:13<1570::aid-jcc2>3.0.co;2-o","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199710)18:13<1570::aid-jcc2>3.0.co;2-o","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","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/A5068673014","display_name":"Christian M. Cortis","orcid":null},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christian M. Cortis","raw_affiliation_strings":["Department of Applied Physics and Center for Biomolecular Simulation, Columbia University, New York, New York 10027"],"affiliations":[{"raw_affiliation_string":"Department of Applied Physics and Center for Biomolecular Simulation, Columbia University, New York, New York 10027","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012437524","display_name":"Richard A. Friesner","orcid":"https://orcid.org/0000-0002-1708-9342"},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Richard A. Friesner","raw_affiliation_strings":["Department of Chemistry and Center for Biomolecular Simulation, Columbia University, New York, New York 10027","Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Center for Biomolecular Simulation, Columbia University, New York, New York 10027","institution_ids":["https://openalex.org/I78577930"]},{"raw_affiliation_string":"Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027","institution_ids":["https://openalex.org/I78577930"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5012437524"],"corresponding_institution_ids":["https://openalex.org/I78577930"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":2.51928438,"has_fulltext":false,"cited_by_count":104,"citation_normalized_percentile":{"value":0.88742138,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":100},"biblio":{"volume":"18","issue":"13","first_page":"1570","last_page":"1590"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10996","display_name":"Computational Geometry and Mesh Generation","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/1704","display_name":"Computer Graphics and Computer-Aided Design"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10996","display_name":"Computational Geometry and Mesh Generation","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/1704","display_name":"Computer Graphics and Computer-Aided Design"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10313","display_name":"Surface Modification and Superhydrophobicity","score":0.9911999702453613,"subfield":{"id":"https://openalex.org/subfields/2508","display_name":"Surfaces, Coatings and Films"},"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/T10739","display_name":"Electromagnetic Scattering and Analysis","score":0.9750999808311462,"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/mesh-generation","display_name":"Mesh generation","score":0.6892404556274414},{"id":"https://openalex.org/keywords/polygon-mesh","display_name":"Polygon mesh","score":0.667466938495636},{"id":"https://openalex.org/keywords/discretization","display_name":"Discretization","score":0.6273070573806763},{"id":"https://openalex.org/keywords/finite-element-method","display_name":"Finite element method","score":0.6256594657897949},{"id":"https://openalex.org/keywords/t-vertices","display_name":"T-vertices","score":0.5670314431190491},{"id":"https://openalex.org/keywords/grid","display_name":"Grid","score":0.5292700529098511},{"id":"https://openalex.org/keywords/tetrahedron","display_name":"Tetrahedron","score":0.4924200773239136},{"id":"https://openalex.org/keywords/poissons-equation","display_name":"Poisson's equation","score":0.46048957109451294},{"id":"https://openalex.org/keywords/boundary-value-problem","display_name":"Boundary value problem","score":0.42508378624916077},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.37266796827316284},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3684150278568268},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.36530256271362305},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.3635326027870178},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.3592590093612671},{"id":"https://openalex.org/keywords/topology","display_name":"Topology (electrical circuits)","score":0.3278515338897705},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.2742006480693817},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.18123501539230347},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.09173917770385742}],"concepts":[{"id":"https://openalex.org/C181145010","wikidata":"https://www.wikidata.org/wiki/Q4418033","display_name":"Mesh generation","level":3,"score":0.6892404556274414},{"id":"https://openalex.org/C31487907","wikidata":"https://www.wikidata.org/wiki/Q1154597","display_name":"Polygon mesh","level":2,"score":0.667466938495636},{"id":"https://openalex.org/C73000952","wikidata":"https://www.wikidata.org/wiki/Q17007827","display_name":"Discretization","level":2,"score":0.6273070573806763},{"id":"https://openalex.org/C135628077","wikidata":"https://www.wikidata.org/wiki/Q220184","display_name":"Finite element method","level":2,"score":0.6256594657897949},{"id":"https://openalex.org/C160403270","wikidata":"https://www.wikidata.org/wiki/Q7667943","display_name":"T-vertices","level":4,"score":0.5670314431190491},{"id":"https://openalex.org/C187691185","wikidata":"https://www.wikidata.org/wiki/Q2020720","display_name":"Grid","level":2,"score":0.5292700529098511},{"id":"https://openalex.org/C105239961","wikidata":"https://www.wikidata.org/wiki/Q160003","display_name":"Tetrahedron","level":2,"score":0.4924200773239136},{"id":"https://openalex.org/C96716743","wikidata":"https://www.wikidata.org/wiki/Q827688","display_name":"Poisson's equation","level":2,"score":0.46048957109451294},{"id":"https://openalex.org/C182310444","wikidata":"https://www.wikidata.org/wiki/Q1332643","display_name":"Boundary value problem","level":2,"score":0.42508378624916077},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.37266796827316284},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3684150278568268},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.36530256271362305},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.3635326027870178},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.3592590093612671},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.3278515338897705},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.2742006480693817},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.18123501539230347},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.09173917770385742},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199710)18:13<1570::aid-jcc2>3.0.co;2-o","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199710)18:13<1570::aid-jcc2>3.0.co;2-o","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.41999998688697815,"display_name":"Sustainable cities and communities","id":"https://metadata.un.org/sdg/11"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W1520127302","https://openalex.org/W1542333376","https://openalex.org/W1978954083","https://openalex.org/W1979234818","https://openalex.org/W1985633170","https://openalex.org/W1989373517","https://openalex.org/W1997797263","https://openalex.org/W2003542620","https://openalex.org/W2006879017","https://openalex.org/W2014843742","https://openalex.org/W2021534482","https://openalex.org/W2029615301","https://openalex.org/W2031140167","https://openalex.org/W2035284816","https://openalex.org/W2039665613","https://openalex.org/W2046053182","https://openalex.org/W2049482544","https://openalex.org/W2061545818","https://openalex.org/W2062224822","https://openalex.org/W2063831812","https://openalex.org/W2070164574","https://openalex.org/W2076071607","https://openalex.org/W2125323855","https://openalex.org/W2127116852","https://openalex.org/W2160003827","https://openalex.org/W2167557857","https://openalex.org/W2177731497"],"related_works":["https://openalex.org/W1562286121","https://openalex.org/W2965585506","https://openalex.org/W2330661319","https://openalex.org/W2327456812","https://openalex.org/W1980725025","https://openalex.org/W2045022900","https://openalex.org/W4243285730","https://openalex.org/W1993460192","https://openalex.org/W3090384263","https://openalex.org/W2019600060"],"abstract_inverted_index":{"We":[0],"present":[1],"an":[2,105,133],"automatic":[3],"three-dimensional":[4],"mesh":[5,30,50,75,84,94],"generation":[6,51],"system":[7],"for":[8],"the":[9,12,25,40,43,61,67,71,74,92,96,99,109,124,127,141,149,154,174],"solution":[10],"of":[11,27,36,42,70,79,98,108,126,132,162],"Poisson\u2013Boltzmann":[13],"equation":[14],"using":[15,31,159],"a":[16,28,32,77,119,160],"finite":[17,138],"element":[18],"discretization.":[19],"The":[20,130,169],"different":[21],"algorithms":[22],"presented":[23],"allow":[24,104],"construction":[26,85],"tetrahedral":[29,62],"predetermined":[33],"spatial":[34],"distribution":[35,152],"vertices":[37],"adapted":[38],"to":[39,59,90,113,166,176],"geometry":[41],"dielectric":[44,100,142],"continuum":[45],"solvent":[46],"model.":[47],"A":[48,82],"constrained":[49],"strategy,":[52],"based":[53],"on":[54],"Bowyer's":[55],"algorithm,":[56],"is":[57,87,157],"used":[58,89],"construct":[60],"elements":[63],"incrementally":[64],"and":[65],"embed":[66],"Richards":[68],"surface":[69],"molecule":[72,156],"into":[73],"as":[76,148],"set":[78,161],"triangular":[80],"faces.":[81],"direct":[83],"algorithm":[86,175],"then":[88],"refine":[91],"existing":[93],"in":[95,123],"neighborhood":[97],"interface.":[101],"This":[102],"will":[103],"accurate":[106],"calculation":[107],"induced":[110],"polarization":[111],"charge":[112],"be":[114,145],"carried":[115],"out":[116],"while":[117],"maintaining":[118],"sparse":[120],"grid":[121,150],"structure":[122],"rest":[125],"computational":[128],"space.":[129],"inclusion":[131],"ionic":[134],"boundary":[135],"at":[136],"some":[137],"distance":[139],"from":[140],"interface":[143],"can":[144],"automatically":[146],"achieved":[147],"point":[151],"outside":[153],"solute":[155],"constructed":[158],"surfaces":[163],"topologically":[164],"equivalent":[165],"this":[167],"boundary.":[168],"meshes":[170],"obtained":[171],"by":[172],"applying":[173],"real":[177],"molecular":[178],"geometries":[179],"are":[180],"described.":[181],"\u00a9":[182],"1997":[183,194],"John":[184],"Wiley":[185],"&":[186],"Sons,":[187],"Inc.":[188],"J":[189],"Comput":[190],"Chem":[191],"18:":[192],"1570\u20131590,":[193]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":8},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}