Publication: A coarse graining approach in molecular simulations: fuzzy potentials
| dc.contributor.department | Department of Chemistry | |
| dc.contributor.kuauthor | Yurtsever, İsmail Ersin | |
| dc.contributor.kuauthor | Eşsiz, Şebnem | |
| dc.contributor.kuprofile | Faculty Member | |
| dc.contributor.kuprofile | Undergraduated Student | |
| dc.contributor.schoolcollegeinstitute | College of Sciences | |
| dc.contributor.yokid | 7129 | |
| dc.contributor.yokid | 191615 | |
| dc.date.accessioned | 2024-11-10T00:10:03Z | |
| dc.date.issued | 2003 | |
| dc.description.abstract | A 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.indexedby | Scopus | |
| dc.description.indexedby | TR Dizin | |
| dc.description.issue | 1 | |
| dc.description.openaccess | YES | |
| dc.description.publisherscope | International | |
| dc.description.volume | 53 | |
| dc.identifier.doi | N/A | |
| dc.identifier.issn | 1434-5641 | |
| dc.identifier.link | https://www.scopus.com/inward/record.uri?eid=2-s2.0-33747517187andpartnerID=40andmd5=eeb298e3d0a3c12a0979e980b8041be7 | |
| dc.identifier.quartile | N/A | |
| dc.identifier.scopus | 2-s2.0-33747517187 | |
| dc.identifier.uri | N/A | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14288/17238 | |
| dc.keywords | Coarse graining | |
| dc.keywords | Interaction potentials | |
| dc.keywords | Moleculer simulation | |
| dc.language | English | |
| dc.publisher | Istanbul Technical University | |
| dc.source | ARI Bulletin of the Istanbul Technical University | |
| dc.subject | Chemistry | |
| dc.title | A coarse graining approach in molecular simulations: fuzzy potentials | |
| dc.type | Journal Article | |
| dspace.entity.type | Publication | |
| local.contributor.authorid | 0000-0001-9245-9596 | |
| local.contributor.authorid | 0000-0002-5476-4722 | |
| local.contributor.kuauthor | Yurtsever, İsmail Ersin | |
| local.contributor.kuauthor | Eşsiz, Şebnem | |
| local.publication.orgunit1 | College of Sciences | |
| local.publication.orgunit2 | Department of Chemistry | |
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