{"id":"https://openalex.org/W1489462885","doi":"https://doi.org/10.1007/3-540-44864-0_13","title":"The Extensible Computational Chemistry Environment: A Problem Solving Environment for High Performance Theoretical Chemistry","display_name":"The Extensible Computational Chemistry Environment: A Problem Solving Environment for High Performance Theoretical Chemistry","publication_year":2003,"publication_date":"2003-01-01","ids":{"openalex":"https://openalex.org/W1489462885","doi":"https://doi.org/10.1007/3-540-44864-0_13","mag":"1489462885"},"language":"en","primary_location":{"id":"doi:10.1007/3-540-44864-0_13","is_oa":true,"landing_page_url":"https://doi.org/10.1007/3-540-44864-0_13","pdf_url":"https://link.springer.com/content/pdf/10.1007/3-540-44864-0_13.pdf","source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/3-540-44864-0_13.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5052870199","display_name":"Gary D. Black","orcid":"https://orcid.org/0000-0001-5226-8744"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gary Black","raw_affiliation_strings":["Pacific Northwest National Laboratory, Richland, Washington, 99352"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory, Richland, Washington, 99352","institution_ids":["https://openalex.org/I142606810"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007415260","display_name":"Karen Schuchardt","orcid":null},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Karen Schuchardt","raw_affiliation_strings":["Pacific Northwest National Laboratory, Richland, Washington, 99352"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory, Richland, Washington, 99352","institution_ids":["https://openalex.org/I142606810"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Debbie Gracio","orcid":null},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Debbie Gracio","raw_affiliation_strings":["Pacific Northwest National Laboratory, Richland, Washington, 99352"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory, Richland, Washington, 99352","institution_ids":["https://openalex.org/I142606810"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060084266","display_name":"Bruce Palmer","orcid":"https://orcid.org/0000-0002-1933-2350"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bruce Palmer","raw_affiliation_strings":["Pacific Northwest National Laboratory, Richland, Washington, 99352"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory, Richland, Washington, 99352","institution_ids":["https://openalex.org/I142606810"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I142606810"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":{"value":5000,"currency":"EUR","value_usd":5392},"fwci":null,"has_fulltext":true,"cited_by_count":26,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"122","last_page":"131"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10951","display_name":"Cryptographic Implementations and Security","score":0.9947999715805054,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T10951","display_name":"Cryptographic Implementations and Security","score":0.9947999715805054,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T11241","display_name":"Advanced Malware Detection Techniques","score":0.992900013923645,"subfield":{"id":"https://openalex.org/subfields/1711","display_name":"Signal Processing"},"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/T12029","display_name":"DNA and Biological Computing","score":0.9868999719619751,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7120986580848694},{"id":"https://openalex.org/keywords/extensibility","display_name":"Extensibility","score":0.6296896934509277},{"id":"https://openalex.org/keywords/domain","display_name":"Domain (mathematical analysis)","score":0.5840895175933838},{"id":"https://openalex.org/keywords/suite","display_name":"Suite","score":0.5434960722923279},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.5351214408874512},{"id":"https://openalex.org/keywords/problem-solving-environment","display_name":"Problem solving environment","score":0.5340553522109985},{"id":"https://openalex.org/keywords/graphical-user-interface","display_name":"Graphical user interface","score":0.5067914128303528},{"id":"https://openalex.org/keywords/visualization","display_name":"Visualization","score":0.4855732321739197},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.48006924986839294},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.45100724697113037},{"id":"https://openalex.org/keywords/milestone","display_name":"Milestone","score":0.4480679929256439},{"id":"https://openalex.org/keywords/architecture","display_name":"Architecture","score":0.4356883764266968},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.3718213438987732},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.30707770586013794},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.14105603098869324},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.0919312834739685},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.08467233180999756},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.08263662457466125}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7120986580848694},{"id":"https://openalex.org/C32833848","wikidata":"https://www.wikidata.org/wiki/Q4115054","display_name":"Extensibility","level":2,"score":0.6296896934509277},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.5840895175933838},{"id":"https://openalex.org/C79581498","wikidata":"https://www.wikidata.org/wiki/Q1367530","display_name":"Suite","level":2,"score":0.5434960722923279},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.5351214408874512},{"id":"https://openalex.org/C2780665868","wikidata":"https://www.wikidata.org/wiki/Q7246952","display_name":"Problem solving environment","level":2,"score":0.5340553522109985},{"id":"https://openalex.org/C37789001","wikidata":"https://www.wikidata.org/wiki/Q782543","display_name":"Graphical user interface","level":2,"score":0.5067914128303528},{"id":"https://openalex.org/C36464697","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Visualization","level":2,"score":0.4855732321739197},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.48006924986839294},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.45100724697113037},{"id":"https://openalex.org/C120060458","wikidata":"https://www.wikidata.org/wiki/Q10145","display_name":"Milestone","level":2,"score":0.4480679929256439},{"id":"https://openalex.org/C123657996","wikidata":"https://www.wikidata.org/wiki/Q12271","display_name":"Architecture","level":2,"score":0.4356883764266968},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.3718213438987732},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.30707770586013794},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.14105603098869324},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0919312834739685},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.08467233180999756},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.08263662457466125},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C153349607","wikidata":"https://www.wikidata.org/wiki/Q36649","display_name":"Visual arts","level":1,"score":0.0},{"id":"https://openalex.org/C95457728","wikidata":"https://www.wikidata.org/wiki/Q309","display_name":"History","level":0,"score":0.0},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.0},{"id":"https://openalex.org/C142362112","wikidata":"https://www.wikidata.org/wiki/Q735","display_name":"Art","level":0,"score":0.0},{"id":"https://openalex.org/C157915830","wikidata":"https://www.wikidata.org/wiki/Q2928001","display_name":"Bubble","level":2,"score":0.0},{"id":"https://openalex.org/C129307140","wikidata":"https://www.wikidata.org/wiki/Q6795880","display_name":"Maximum bubble pressure method","level":3,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/3-540-44864-0_13","is_oa":true,"landing_page_url":"https://doi.org/10.1007/3-540-44864-0_13","pdf_url":"https://link.springer.com/content/pdf/10.1007/3-540-44864-0_13.pdf","source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.201.3315","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.201.3315","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://ecce.emsl.pnl.gov/docs/publications/Ecce_Problem_Solving_Environment_ICCS03.pdf","raw_type":"text"}],"best_oa_location":{"id":"doi:10.1007/3-540-44864-0_13","is_oa":true,"landing_page_url":"https://doi.org/10.1007/3-540-44864-0_13","pdf_url":"https://link.springer.com/content/pdf/10.1007/3-540-44864-0_13.pdf","source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306250","display_name":"Battelle","ror":"https://ror.org/01h5tnr73"},{"id":"https://openalex.org/F4320338354","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1489462885.pdf","grobid_xml":"https://content.openalex.org/works/W1489462885.grobid-xml"},"referenced_works_count":4,"referenced_works":["https://openalex.org/W1527701244","https://openalex.org/W1538794261","https://openalex.org/W2579007764","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W3151958197","https://openalex.org/W2952657391","https://openalex.org/W1998962249","https://openalex.org/W2467097043","https://openalex.org/W2349300438","https://openalex.org/W2315274409","https://openalex.org/W4245681215","https://openalex.org/W1994342014","https://openalex.org/W1691051400","https://openalex.org/W1985445940"],"abstract_inverted_index":{"The":[0],"Extensible":[1],"Computational":[2],"Chemistry":[3],"Environment":[4],"(Ecce)":[5],"is":[6,59],"a":[7,16,65],"suite":[8],"of":[9,37,46,75],"distributed":[10,44],"applications":[11],"that":[12,63],"are":[13,91],"integrated":[14],"as":[15],"comprehensive":[17],"problem":[18,79,85,94],"solving":[19,80,86,95],"environment":[20,81],"for":[21],"computational":[22,76,99],"chemistry.":[23],"Ecce":[24],"provides":[25],"scientists":[26],"with":[27],"an":[28,60],"easily":[29],"used":[30],"graphical":[31],"user":[32],"interface":[33],"to":[34,93],"the":[35,73,98],"tasks":[36],"setting":[38],"up":[39],"complex":[40],"molecular":[41],"modeling":[42],"calculations,":[43],"use":[45],"high":[47],"performance":[48],"computers,":[49],"and":[50,53,78,89],"scientific":[51],"visualization":[52],"analysis.":[54],"Ecce\u2019s":[55],"flexible,":[56],"standards-based":[57],"architecture":[58,87],"extensible":[61],"framework":[62],"represents":[64],"significant":[66],"milestone":[67],"in":[68,72],"production":[69],"systems,":[70],"both":[71],"field":[74],"chemistry":[77,100],"research.":[82],"Its":[83],"base":[84],"components":[88],"concepts":[90],"applicable":[92],"environments":[96],"beyond":[97],"domain.":[101]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2}],"updated_date":"2026-07-14T23:27:15.235271","created_date":"2025-10-10T00:00:00"}
