Publication Information

{'id': 'https://openalex.org/W3099663426', 'doi': 'https://doi.org/10.1063/1.481671', 'title': 'Phase changes in 38-atom Lennard-Jones clusters. I. A parallel tempering study in the canonical ensemble', 'display_name': 'Phase changes in 38-atom Lennard-Jones clusters. I. A parallel tempering study in the canonical ensemble', 'publication_year': 2000, 'publication_date': '2000-06-15', 'ids': {'openalex': 'https://openalex.org/W3099663426', 'doi': 'https://doi.org/10.1063/1.481671', 'mag': '3099663426'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1063/1.481671', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S77047749', 'display_name': 'The Journal of Chemical Physics', 'issn_l': '0021-9606', 'issn': ['0021-9606', '1089-7690', '1520-9032'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320257', 'host_organization_name': 'American Institute of Physics', 'host_organization_lineage': ['https://openalex.org/P4310320257'], 'host_organization_lineage_names': ['American Institute of Physics'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['arxiv', 'crossref', 'datacite'], 'open_access': {'is_oa': True, 'oa_status': 'green', 'oa_url': 'https://arxiv.org/pdf/physics/0003068', 'any_repository_has_fulltext': True}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5012013092', 'display_name': 'Juan Pablo Neirotti', 'orcid': 'https://orcid.org/0000-0002-2409-8917'}, 'institutions': [{'id': 'https://openalex.org/I17626003', 'display_name': 'University of Rhode Island', 'ror': 'https://ror.org/013ckk937', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I17626003']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'J. P. Neirotti', 'raw_affiliation_strings': ['Department of Chemistry, University of Rhode Island, Kingston, Rhode Island\u200902881-0809'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Rhode Island, Kingston, Rhode Island\u200902881-0809', 'institution_ids': ['https://openalex.org/I17626003']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5018066763', 'display_name': 'F. Calvo', 'orcid': 'https://orcid.org/0000-0002-3621-3046'}, 'institutions': [{'id': 'https://openalex.org/I3020098449', 'display_name': 'CEA Grenoble', 'ror': 'https://ror.org/02mg6n827', 'country_code': 'FR', 'type': 'government', 'lineage': ['https://openalex.org/I2738703131', 'https://openalex.org/I3020098449']}, {'id': 'https://openalex.org/I2738703131', 'display_name': "Commissariat à l'Énergie Atomique et aux Énergies Alternatives", 'ror': 'https://ror.org/00jjx8s55', 'country_code': 'FR', 'type': 'government', 'lineage': ['https://openalex.org/I2738703131']}], 'countries': ['FR'], 'is_corresponding': False, 'raw_author_name': 'F. Calvo', 'raw_affiliation_strings': ['Département de Recherche sur la Matière Condensée, Service des Ions, Atomes et Agrégats, CEA Grenoble, F38054\u2009Grenoble Cedex, France'], 'affiliations': [{'raw_affiliation_string': 'Département de Recherche sur la Matière Condensée, Service des Ions, Atomes et Agrégats, CEA Grenoble, F38054\u2009Grenoble Cedex, France', 'institution_ids': ['https://openalex.org/I3020098449', 'https://openalex.org/I2738703131']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5078056558', 'display_name': 'David L. Freeman', 'orcid': 'https://orcid.org/0000-0002-5071-7347'}, 'institutions': [{'id': 'https://openalex.org/I17626003', 'display_name': 'University of Rhode Island', 'ror': 'https://ror.org/013ckk937', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I17626003']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'David L. Freeman', 'raw_affiliation_strings': ['Department of Chemistry, University of Rhode Island, Kingston, Rhode Island\u200902881-0809'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Rhode Island, Kingston, Rhode Island\u200902881-0809', 'institution_ids': ['https://openalex.org/I17626003']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5035124874', 'display_name': 'J. D. Doll', 'orcid': 'https://orcid.org/0000-0002-1725-8695'}, 'institutions': [{'id': 'https://openalex.org/I27804330', 'display_name': 'Brown University', 'ror': 'https://ror.org/05gq02987', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I27804330']}, {'id': 'https://openalex.org/I196272386', 'display_name': 'Providence College', 'ror': 'https://ror.org/00rxpqe74', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I196272386']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'J. D. Doll', 'raw_affiliation_strings': ['Department of Chemistry, Brown University, Providence, Rhode Island\u200902912'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Brown University, Providence, Rhode Island\u200902912', 'institution_ids': ['https://openalex.org/I27804330', 'https://openalex.org/I196272386']}]}], 'institution_assertions': [], 'countries_distinct_count': 2, 'institutions_distinct_count': 5, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 3500, 'currency': 'USD', 'value_usd': 3500, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 14.502, 'has_fulltext': True, 'fulltext_origin': 'pdf', 'cited_by_count': 203, 'citation_normalized_percentile': {'value': 0.999926, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 98, 'max': 99}, 'biblio': {'volume': '112', 'issue': '23', 'first_page': '10340', 'last_page': '10349'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10402', 'display_name': 'Phase Equilibria and Thermodynamics', 'score': 0.9997, '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': 0.9997, '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/T10474', 'display_name': 'Material Dynamics and Properties', 'score': 0.9996, '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/T12202', 'display_name': 'nanoparticles nucleation surface interactions', 'score': 0.9992, 'subfield': {'id': 'https://openalex.org/subfields/1902', 'display_name': 'Atmospheric Science'}, 'field': {'id': 'https://openalex.org/fields/19', 'display_name': 'Earth and Planetary Sciences'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/parallel-tempering', 'display_name': 'Parallel tempering', 'score': 0.9211831}, {'id': 'https://openalex.org/keywords/tempering', 'display_name': 'Tempering', 'score': 0.7646933}, {'id': 'https://openalex.org/keywords/grand-canonical-ensemble', 'display_name': 'Grand canonical ensemble', 'score': 0.49970317}, {'id': 'https://openalex.org/keywords/lennard-jones-potential', 'display_name': 'Lennard-Jones potential', 'score': 0.45508698}, {'id': 'https://openalex.org/keywords/ergodicity', 'display_name': 'Ergodicity', 'score': 0.45410782}], 'concepts': [{'id': 'https://openalex.org/C187653413', 'wikidata': 'https://www.wikidata.org/wiki/Q7135015', 'display_name': 'Parallel tempering', 'level': 5, 'score': 0.9211831}, {'id': 'https://openalex.org/C28556851', 'wikidata': 'https://www.wikidata.org/wiki/Q1077753', 'display_name': 'Canonical ensemble', 'level': 3, 'score': 0.7714869}, {'id': 'https://openalex.org/C207948433', 'wikidata': 'https://www.wikidata.org/wiki/Q685487', 'display_name': 'Tempering', 'level': 2, 'score': 0.7646933}, {'id': 'https://openalex.org/C60205243', 'wikidata': 'https://www.wikidata.org/wiki/Q179388', 'display_name': 'Heat capacity', 'level': 2, 'score': 0.6953364}, {'id': 'https://openalex.org/C97355855', 'wikidata': 'https://www.wikidata.org/wiki/Q11473', 'display_name': 'Thermodynamics', 'level': 1, 'score': 0.56167597}, {'id': 'https://openalex.org/C19499675', 'wikidata': 'https://www.wikidata.org/wiki/Q232207', 'display_name': 'Monte Carlo method', 'level': 2, 'score': 0.5439811}, {'id': 'https://openalex.org/C164866538', 'wikidata': 'https://www.wikidata.org/wiki/Q367351', 'display_name': 'Cluster (spacecraft)', 'level': 2, 'score': 0.5121021}, {'id': 'https://openalex.org/C29235156', 'wikidata': 'https://www.wikidata.org/wiki/Q1153553', 'display_name': 'Grand canonical ensemble', 'level': 3, 'score': 0.49970317}, {'id': 'https://openalex.org/C113709186', 'wikidata': 'https://www.wikidata.org/wiki/Q5986738', 'display_name': 'Icosahedral symmetry', 'level': 2, 'score': 0.49482173}, {'id': 'https://openalex.org/C58312451', 'wikidata': 'https://www.wikidata.org/wiki/Q4817200', 'display_name': 'Atom (system on chip)', 'level': 2, 'score': 0.4686978}, {'id': 'https://openalex.org/C142508316', 'wikidata': 'https://www.wikidata.org/wiki/Q898493', 'display_name': 'Lennard-Jones potential', 'level': 3, 'score': 0.45508698}, {'id': 'https://openalex.org/C201779956', 'wikidata': 'https://www.wikidata.org/wiki/Q5426803', 'display_name': 'Ergodicity', 'level': 2, 'score': 0.45410782}, {'id': 'https://openalex.org/C121864883', 'wikidata': 'https://www.wikidata.org/wiki/Q677916', 'display_name': 'Statistical physics', 'level': 1, 'score': 0.44723466}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.3824162}, {'id': 'https://openalex.org/C192562407', 'wikidata': 'https://www.wikidata.org/wiki/Q228736', 'display_name': 'Materials science', 'level': 0, 'score': 0.34444517}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.33904737}, {'id': 'https://openalex.org/C59593255', 'wikidata': 'https://www.wikidata.org/wiki/Q901663', 'display_name': 'Molecular dynamics', 'level': 2, 'score': 0.33281276}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.18949735}, {'id': 'https://openalex.org/C8010536', 'wikidata': 'https://www.wikidata.org/wiki/Q160398', 'display_name': 'Crystallography', 'level': 1, 'score': 0.1595295}, {'id': 'https://openalex.org/C37669827', 'wikidata': 'https://www.wikidata.org/wiki/Q6904703', 'display_name': 'Monte Carlo molecular modeling', 'level': 4, 'score': 0.15646088}, {'id': 'https://openalex.org/C33923547', 'wikidata': 'https://www.wikidata.org/wiki/Q395', 'display_name': 'Mathematics', 'level': 0, 'score': 0.13531774}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.1158984}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.06461963}, {'id': 'https://openalex.org/C111350023', 'wikidata': 'https://www.wikidata.org/wiki/Q1191869', 'display_name': 'Markov chain Monte Carlo', 'level': 3, 'score': 0.061175942}, {'id': 'https://openalex.org/C105795698', 'wikidata': 'https://www.wikidata.org/wiki/Q12483', 'display_name': 'Statistics', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C149635348', 'wikidata': 'https://www.wikidata.org/wiki/Q193040', 'display_name': 'Embedded system', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C159985019', 'wikidata': 'https://www.wikidata.org/wiki/Q181790', 'display_name': 'Composite material', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C199360897', 'wikidata': 'https://www.wikidata.org/wiki/Q9143', 'display_name': 'Programming language', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 3, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1063/1.481671', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S77047749', 'display_name': 'The Journal of Chemical Physics', 'issn_l': '0021-9606', 'issn': ['0021-9606', '1089-7690', '1520-9032'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320257', 'host_organization_name': 'American Institute of Physics', 'host_organization_lineage': ['https://openalex.org/P4310320257'], 'host_organization_lineage_names': ['American Institute of Physics'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': True, 'landing_page_url': 'https://arxiv.org/abs/physics/0003068', 'pdf_url': 'https://arxiv.org/pdf/physics/0003068', 'source': {'id': 'https://openalex.org/S4306400194', 'display_name': 'arXiv (Cornell University)', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I205783295', 'host_organization_name': 'Cornell University', 'host_organization_lineage': ['https://openalex.org/I205783295'], 'host_organization_lineage_names': ['Cornell University'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': 'submittedVersion', 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://api.datacite.org/dois/10.48550/arxiv.physics/0003068', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4393179698', 'display_name': 'DataCite API', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I4210145204', 'host_organization_name': 'DataCite', 'host_organization_lineage': ['https://openalex.org/I4210145204'], 'host_organization_lineage_names': ['DataCite'], 'type': 'metadata'}, 'license': None, 'license_id': None, 'version': None}], 'best_oa_location': {'is_oa': True, 'landing_page_url': 'https://arxiv.org/abs/physics/0003068', 'pdf_url': 'https://arxiv.org/pdf/physics/0003068', 'source': {'id': 'https://openalex.org/S4306400194', 'display_name': 'arXiv (Cornell University)', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I205783295', 'host_organization_name': 'Cornell University', 'host_organization_lineage': ['https://openalex.org/I205783295'], 'host_organization_lineage_names': ['Cornell University'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': 'submittedVersion', 'is_accepted': False, 'is_published': False}, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': ['https://openalex.org/W2093349936', 'https://openalex.org/W3099663426'], 'referenced_works_count': 49, 'referenced_works': ['https://openalex.org/W1518398624', 'https://openalex.org/W1963871440', 'https://openalex.org/W1964347229', 'https://openalex.org/W1966432511', 'https://openalex.org/W1971834211', 'https://openalex.org/W1974871292', 'https://openalex.org/W1983628095', 'https://openalex.org/W1986602910', 'https://openalex.org/W1988872625', 'https://openalex.org/W1997665816', 'https://openalex.org/W1999020160', 'https://openalex.org/W2024487102', 'https://openalex.org/W2025490818', 'https://openalex.org/W2027384625', 'https://openalex.org/W2029823891', 'https://openalex.org/W2034996322', 'https://openalex.org/W2035720425', 'https://openalex.org/W2037362428', 'https://openalex.org/W2039584597', 'https://openalex.org/W2040623033', 'https://openalex.org/W2041661865', 'https://openalex.org/W2043432627', 'https://openalex.org/W2045978442', 'https://openalex.org/W2047701449', 'https://openalex.org/W2051459678', 'https://openalex.org/W2052691968', 'https://openalex.org/W2056722718', 'https://openalex.org/W2056760934', 'https://openalex.org/W2065074326', 'https://openalex.org/W2069547049', 'https://openalex.org/W2083471911', 'https://openalex.org/W2083732454', 'https://openalex.org/W2092204065', 'https://openalex.org/W2093960591', 'https://openalex.org/W2095330001', 'https://openalex.org/W2124373168', 'https://openalex.org/W2146895524', 'https://openalex.org/W2168303626', 'https://openalex.org/W2172089048', 'https://openalex.org/W2885483166', 'https://openalex.org/W3098373368', 'https://openalex.org/W3098747943', 'https://openalex.org/W3101472952', 'https://openalex.org/W3101568290', 'https://openalex.org/W3103880189', 'https://openalex.org/W3105621768', 'https://openalex.org/W3143893444', 'https://openalex.org/W4210248087', 'https://openalex.org/W4229499352'], 'related_works': ['https://openalex.org/W3102493577', 'https://openalex.org/W3098295973', 'https://openalex.org/W2786740239', 'https://openalex.org/W2564354043', 'https://openalex.org/W2360340668', 'https://openalex.org/W2181524604', 'https://openalex.org/W2093935103', 'https://openalex.org/W2065334534', 'https://openalex.org/W2035965523', 'https://openalex.org/W1992614513'], 'abstract_inverted_index': {'The': [0], 'heat': [1, 58, 71], 'capacity': [2, 59, 72], 'and': [3, 41, 60], 'isomer': [4], 'distributions': [5], 'of': [6, 28, 45, 49, 56, 69], 'the': [7, 16, 37, 42, 53, 57, 67, 70], '38': [8], 'atom': [9], 'Lennard-Jones': [10], 'cluster': [11], 'have': [12], 'been': [13], 'calculated': [14], 'in': [15, 66], 'canonical': [17], 'ensemble': [18], 'using': [19], 'parallel': [20, 93], 'tempering': [21, 76, 94], 'Monte': [22], 'Carlo': [23], 'methods.': [24], 'A': [25, 87], 'distinct': [26], 'region': [27, 48], 'temperature': [29], 'is': [30, 61, 77, 89], 'identified': [31], 'that': [32, 91, 99], 'corresponds': [33], 'to': [34, 79], 'equilibrium': [35], 'between': [36, 82], 'global': [38], 'minimum': [39], 'structure': [40], 'icosahedral': [43], 'basin': [44], 'structures.': [46], 'This': [47], 'temperatures': [50], 'occurs': [51], 'below': [52], 'melting': [54], 'peak': [55, 65], 'accompanied': [62], 'by': [63], 'a': [64], 'derivative': [68], 'with': [73, 95], 'temperature.': [74], 'Parallel': [75], 'shown': [78], 'introduce': [80], 'correlations': [81], 'results': [83], 'at': [84], 'different': [85], 'temperatures.': [86], 'discussion': [88], 'given': [90], 'compares': [92], 'other': [96], 'related': [97], 'approaches': [98], 'ensure': [100], 'ergodic': [101], 'simulations.': [102]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W3099663426', 'counts_by_year': [{'year': 2024, 'cited_by_count': 2}, {'year': 2021, 'cited_by_count': 1}, {'year': 2020, 'cited_by_count': 5}, {'year': 2019, 'cited_by_count': 6}, {'year': 2018, 'cited_by_count': 4}, {'year': 2017, 'cited_by_count': 7}, {'year': 2016, 'cited_by_count': 2}, {'year': 2015, 'cited_by_count': 7}, {'year': 2014, 'cited_by_count': 5}, {'year': 2013, 'cited_by_count': 8}, {'year': 2012, 'cited_by_count': 7}], 'updated_date': '2024-12-20T00:08:00.975125', 'created_date': '2020-11-23'}