{"id":"https://openalex.org/W1499540752","doi":"https://doi.org/10.1007/3-540-47789-6_98","title":"Beyond Traditional Effective Intermolecular Potentials and Pairwise Interactions in Molecular Simulation","display_name":"Beyond Traditional Effective Intermolecular Potentials and Pairwise Interactions in Molecular Simulation","publication_year":2002,"publication_date":"2002-01-01","ids":{"openalex":"https://openalex.org/W1499540752","doi":"https://doi.org/10.1007/3-540-47789-6_98","mag":"1499540752"},"language":"en","primary_location":{"id":"doi:10.1007/3-540-47789-6_98","is_oa":true,"landing_page_url":"https://doi.org/10.1007/3-540-47789-6_98","pdf_url":"https://link.springer.com/content/pdf/10.1007%2F3-540-47789-6_98.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":"book-chapter","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://link.springer.com/content/pdf/10.1007%2F3-540-47789-6_98.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5070802675","display_name":"Gianluca Marcelli","orcid":"https://orcid.org/0000-0002-7475-7327"},"institutions":[{"id":"https://openalex.org/I47508984","display_name":"Imperial College London","ror":"https://ror.org/041kmwe10","country_code":"GB","type":"education","lineage":["https://openalex.org/I47508984"]},{"id":"https://openalex.org/I124357947","display_name":"University of London","ror":"https://ror.org/04cw6st05","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Gianluca Marcelli","raw_affiliation_strings":["Department of Chemistry, Imperial College of Science, Technology and Medicine, University of London, London, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Imperial College of Science, Technology and Medicine, University of London, London, UK","institution_ids":["https://openalex.org/I47508984","https://openalex.org/I124357947"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020518887","display_name":"B. D. Todd","orcid":"https://orcid.org/0000-0003-4683-5719"},"institutions":[{"id":"https://openalex.org/I57093077","display_name":"Swinburne University of Technology","ror":"https://ror.org/031rekg67","country_code":"AU","type":"education","lineage":["https://openalex.org/I57093077"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"B. D. Todd","raw_affiliation_strings":["Centre for Molecular Simulation and School of Information Technology, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria, 3122, Australia"],"affiliations":[{"raw_affiliation_string":"Centre for Molecular Simulation and School of Information Technology, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria, 3122, Australia","institution_ids":["https://openalex.org/I57093077"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5064531291","display_name":"Richard J. Sadus","orcid":"https://orcid.org/0000-0002-6044-0409"},"institutions":[{"id":"https://openalex.org/I57093077","display_name":"Swinburne University of Technology","ror":"https://ror.org/031rekg67","country_code":"AU","type":"education","lineage":["https://openalex.org/I57093077"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Richard J. Sadus","raw_affiliation_strings":["Centre for Molecular Simulation and School of Information Technology, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria, 3122, Australia"],"affiliations":[{"raw_affiliation_string":"Centre for Molecular Simulation and School of Information Technology, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria, 3122, Australia","institution_ids":["https://openalex.org/I57093077"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5070802675"],"corresponding_institution_ids":["https://openalex.org/I124357947","https://openalex.org/I47508984"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":1.2523,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.77131947,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"932","last_page":"941"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9994999766349792,"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"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9991999864578247,"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/pairwise-comparison","display_name":"Pairwise comparison","score":0.7224040627479553},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.7068334817886353},{"id":"https://openalex.org/keywords/intermolecular-force","display_name":"Intermolecular force","score":0.7032191753387451},{"id":"https://openalex.org/keywords/monte-carlo-method","display_name":"Monte Carlo method","score":0.6074292063713074},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.604211688041687},{"id":"https://openalex.org/keywords/non-equilibrium-thermodynamics","display_name":"Non-equilibrium thermodynamics","score":0.5823029279708862},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5768618583679199},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.29577353596687317},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.24486786127090454},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.20189279317855835},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.1616542935371399},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.15882116556167603},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1363157331943512},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.12781274318695068},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.10746225714683533}],"concepts":[{"id":"https://openalex.org/C184898388","wikidata":"https://www.wikidata.org/wiki/Q1435712","display_name":"Pairwise comparison","level":2,"score":0.7224040627479553},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.7068334817886353},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.7032191753387451},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.6074292063713074},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.604211688041687},{"id":"https://openalex.org/C74859849","wikidata":"https://www.wikidata.org/wiki/Q2466686","display_name":"Non-equilibrium thermodynamics","level":2,"score":0.5823029279708862},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5768618583679199},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.29577353596687317},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24486786127090454},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.20189279317855835},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.1616542935371399},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.15882116556167603},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1363157331943512},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.12781274318695068},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.10746225714683533},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1007/3-540-47789-6_98","is_oa":true,"landing_page_url":"https://doi.org/10.1007/3-540-47789-6_98","pdf_url":"https://link.springer.com/content/pdf/10.1007%2F3-540-47789-6_98.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:kar.kent.ac.uk:51573","is_oa":false,"landing_page_url":"http://link.springer.com/chapter/10.1007%2F3-540-47789-6_98#","pdf_url":null,"source":{"id":"https://openalex.org/S4377196264","display_name":"Kent Academic Repository (University of Kent)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I20581793","host_organization_name":"University of Kent","host_organization_lineage":["https://openalex.org/I20581793"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Book section"},{"id":"pmh:oai:researchbank.swinburne.edu.au:ef9c2616-2ab3-4fbe-8876-f56ec3242cff/1","is_oa":false,"landing_page_url":"http://hdl.handle.net/1959.3/2269","pdf_url":null,"source":{"id":"https://openalex.org/S4306401157","display_name":"Swinburne Research Bank (Swinburne University of Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I57093077","host_organization_name":"Swinburne University of Technology","host_organization_lineage":["https://openalex.org/I57093077"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"International Conference on Computational Science (ICCS 2002), Amsterdam, Netherlands, 21-24 April 2002, Vol. 2331, no. 1, pp. 932-941","raw_type":""}],"best_oa_location":{"id":"doi:10.1007/3-540-47789-6_98","is_oa":true,"landing_page_url":"https://doi.org/10.1007/3-540-47789-6_98","pdf_url":"https://link.springer.com/content/pdf/10.1007%2F3-540-47789-6_98.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":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1499540752.pdf","grobid_xml":"https://content.openalex.org/works/W1499540752.grobid-xml"},"referenced_works_count":32,"referenced_works":["https://openalex.org/W170578047","https://openalex.org/W651614067","https://openalex.org/W1538688817","https://openalex.org/W1596416914","https://openalex.org/W1966781625","https://openalex.org/W1967675313","https://openalex.org/W1968711392","https://openalex.org/W1973960362","https://openalex.org/W1975353473","https://openalex.org/W1976236945","https://openalex.org/W1979046104","https://openalex.org/W1981049088","https://openalex.org/W1984074394","https://openalex.org/W1989750844","https://openalex.org/W1997596885","https://openalex.org/W2013979082","https://openalex.org/W2014589222","https://openalex.org/W2017698599","https://openalex.org/W2022127310","https://openalex.org/W2022613700","https://openalex.org/W2042569500","https://openalex.org/W2059815927","https://openalex.org/W2124191860","https://openalex.org/W2135868777","https://openalex.org/W2141798882","https://openalex.org/W2162166182","https://openalex.org/W2170497674","https://openalex.org/W2247819899","https://openalex.org/W4244584041","https://openalex.org/W4254316778","https://openalex.org/W4388225008","https://openalex.org/W6609549819"],"related_works":["https://openalex.org/W2002507860","https://openalex.org/W2318434241","https://openalex.org/W2776752520","https://openalex.org/W2069972120","https://openalex.org/W2054103452","https://openalex.org/W2068890722","https://openalex.org/W2157205030","https://openalex.org/W2067032644","https://openalex.org/W1977509399","https://openalex.org/W1499540752"],"abstract_inverted_index":null,"counts_by_year":[{"year":2015,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}
