Relative resolution : A hybrid formalism for fluid mixtures

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CHAIMOVICH, Aviel, Christine PETER, Kurt KREMER, 2015. Relative resolution : A hybrid formalism for fluid mixtures. In: The Journal of Chemical Physics. 143(24), 243107. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4929834

@article{Chaimovich2015Relat-32654, title={Relative resolution : A hybrid formalism for fluid mixtures}, year={2015}, doi={10.1063/1.4929834}, number={24}, volume={143}, issn={0021-9606}, journal={The Journal of Chemical Physics}, author={Chaimovich, Aviel and Peter, Christine and Kremer, Kurt}, note={Article Number: 243107} }

<rdf:RDF xmlns:dcterms="" xmlns:dc="" xmlns:rdf="" xmlns:bibo="" xmlns:dspace="" xmlns:foaf="" xmlns:void="" xmlns:xsd="" > <rdf:Description rdf:about=""> <dspace:isPartOfCollection rdf:resource=""/> <dc:creator>Chaimovich, Aviel</dc:creator> <dc:contributor>Kremer, Kurt</dc:contributor> <dcterms:title>Relative resolution : A hybrid formalism for fluid mixtures</dcterms:title> <dc:language>eng</dc:language> <dcterms:issued>2015</dcterms:issued> <dcterms:available rdf:datatype="">2016-01-20T14:03:32Z</dcterms:available> <dc:creator>Kremer, Kurt</dc:creator> <dcterms:abstract xml:lang="eng">We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.</dcterms:abstract> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <bibo:uri rdf:resource=""/> <dc:contributor>Peter, Christine</dc:contributor> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dc:date rdf:datatype="">2016-01-20T14:03:32Z</dc:date> <dcterms:isPartOf rdf:resource=""/> <dc:creator>Peter, Christine</dc:creator> <dc:contributor>Chaimovich, Aviel</dc:contributor> </rdf:Description> </rdf:RDF>

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