Publication:
A coarse graining approach in molecular simulations: fuzzy potentials

dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorEşsiz, Şebnem
dc.contributor.kuauthorYurtsever, İsmail Ersin
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-11-10T00:10:03Z
dc.date.issued2003
dc.description.abstractA new representation for interaction potential functions is presented. Unlike the orthodox approaches, the potential function is not a fixed function in terms of internuclear coordinates but a probabilistic one which contains information over a wide range of angular degrees of freedom. It is shown that such approaches can provide practical solutions for bulk systems of high density.
dc.description.indexedbyScopus
dc.description.indexedbyTR Dizin
dc.description.issue1
dc.description.openaccessYES
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.description.volume53
dc.identifier.issn1434-5641
dc.identifier.linkhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-33747517187andpartnerID=40andmd5=eeb298e3d0a3c12a0979e980b8041be7
dc.identifier.quartileN/A
dc.identifier.scopus2-s2.0-33747517187
dc.identifier.urihttps://hdl.handle.net/20.500.14288/17238
dc.keywordsCoarse graining
dc.keywordsInteraction potentials
dc.keywordsMoleculer simulation
dc.language.isoeng
dc.publisherIstanbul Technical University
dc.relation.ispartofARI Bulletin of the Istanbul Technical University
dc.subjectChemistry
dc.titleA coarse graining approach in molecular simulations: fuzzy potentials
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorYurtsever, İsmail Ersin
local.contributor.kuauthorEşsiz, Şebnem
local.publication.orgunit1College of Sciences
local.publication.orgunit2Department of Chemistry
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relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb
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