{"id":"https://openalex.org/W1492838478","doi":"https://doi.org/10.1007/978-3-319-02165-2_45","title":"Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces","display_name":"Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces","publication_year":2013,"publication_date":"2013-01-01","ids":{"openalex":"https://openalex.org/W1492838478","doi":"https://doi.org/10.1007/978-3-319-02165-2_45","mag":"1492838478"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-319-02165-2_45","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-319-02165-2_45","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"High Performance Computing in Science and Engineering \u201813","raw_type":"book-chapter"},"type":"book-chapter","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/A5061685769","display_name":"Martin Horsch","orcid":"https://orcid.org/0000-0002-9464-6739"},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"M. Horsch","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103025147","display_name":"Stefan Becker","orcid":"https://orcid.org/0000-0002-4460-9497"},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"S. Becker","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103470568","display_name":"Juan Manuel Castillo","orcid":null},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"J. M. Castillo","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032930185","display_name":"Stephan Deublein","orcid":null},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"S. Deublein","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037684555","display_name":"Agnes Fr\u00f6scher","orcid":null},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"A. Fr\u00f6scher","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036938917","display_name":"Steffen Reiser","orcid":null},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"S. Reiser","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071857124","display_name":"Stephan Werth","orcid":"https://orcid.org/0000-0002-6327-6747"},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"S. Werth","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082093150","display_name":"Jadran Vrabec","orcid":"https://orcid.org/0000-0002-7947-4051"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"J. Vrabec","raw_affiliation_strings":["Universit\u00e4t Paderborn, Lehrstuhl f\u00fcr Thermodynamik und Energietechnik, Warburger Str. 100, 33098, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Universit\u00e4t Paderborn, Lehrstuhl f\u00fcr Thermodynamik und Energietechnik, Warburger Str. 100, 33098, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039117244","display_name":"Hans Hasse","orcid":"https://orcid.org/0000-0003-4612-5995"},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"H. Hasse","raw_affiliation_strings":["TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany"],"affiliations":[{"raw_affiliation_string":"TU Kaiserslautern, Lehrstuhl f\u00fcr Thermodynamik, Erwin-Schr\u00f6dinger-Str. 44, 67663, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5061685769"],"corresponding_institution_ids":["https://openalex.org/I153267046"],"apc_list":null,"apc_paid":null,"fwci":2.4843,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.91207788,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"647","last_page":"661"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":1.0,"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":1.0,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9976000189781189,"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/T10303","display_name":"Photosynthetic Processes and Mechanisms","score":0.9937000274658203,"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/ewald-summation","display_name":"Ewald summation","score":0.7605646848678589},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7314918637275696},{"id":"https://openalex.org/keywords/electrolyte","display_name":"Electrolyte","score":0.6112344264984131},{"id":"https://openalex.org/keywords/aqueous-solution","display_name":"Aqueous solution","score":0.5314746499061584},{"id":"https://openalex.org/keywords/biomolecule","display_name":"Biomolecule","score":0.5195996165275574},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.5156239867210388},{"id":"https://openalex.org/keywords/halide","display_name":"Halide","score":0.497635155916214},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.46428433060646057},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.4462672770023346},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.4242435693740845},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.28949666023254395},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.2871599495410919},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.2159474492073059},{"id":"https://openalex.org/keywords/inorganic-chemistry","display_name":"Inorganic chemistry","score":0.14947816729545593},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.1390581727027893}],"concepts":[{"id":"https://openalex.org/C143551052","wikidata":"https://www.wikidata.org/wiki/Q2426155","display_name":"Ewald summation","level":3,"score":0.7605646848678589},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7314918637275696},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.6112344264984131},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.5314746499061584},{"id":"https://openalex.org/C49853544","wikidata":"https://www.wikidata.org/wiki/Q206229","display_name":"Biomolecule","level":2,"score":0.5195996165275574},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5156239867210388},{"id":"https://openalex.org/C171560689","wikidata":"https://www.wikidata.org/wiki/Q193086","display_name":"Halide","level":2,"score":0.497635155916214},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.46428433060646057},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4462672770023346},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4242435693740845},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.28949666023254395},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2871599495410919},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2159474492073059},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.14947816729545593},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1390581727027893},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-319-02165-2_45","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-319-02165-2_45","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"High Performance Computing in Science and Engineering \u201813","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/9","score":0.5799999833106995,"display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W170299757","https://openalex.org/W1985293707","https://openalex.org/W1988932107","https://openalex.org/W1998735547","https://openalex.org/W2001676859","https://openalex.org/W2006825681","https://openalex.org/W2009221816","https://openalex.org/W2012510807","https://openalex.org/W2016901852","https://openalex.org/W2022167638","https://openalex.org/W2030848647","https://openalex.org/W2032642369","https://openalex.org/W2035720425","https://openalex.org/W2046947907","https://openalex.org/W2051381895","https://openalex.org/W2058267163","https://openalex.org/W2060512552","https://openalex.org/W2063789332","https://openalex.org/W2064847013","https://openalex.org/W2072070197","https://openalex.org/W2087917487","https://openalex.org/W2090913292","https://openalex.org/W2100248238","https://openalex.org/W2127801414","https://openalex.org/W2160544821","https://openalex.org/W2162082827","https://openalex.org/W2317908766","https://openalex.org/W2322760817","https://openalex.org/W2334104845","https://openalex.org/W2570637109","https://openalex.org/W2922066706","https://openalex.org/W2962866806","https://openalex.org/W4252574145"],"related_works":["https://openalex.org/W2026445128","https://openalex.org/W2004981350","https://openalex.org/W3094860980","https://openalex.org/W2225974560","https://openalex.org/W2089497916","https://openalex.org/W2078304042","https://openalex.org/W1971265428","https://openalex.org/W2313914827","https://openalex.org/W1663836370","https://openalex.org/W1979932589"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2014,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}