State reduction in molecular simulations

Author(s): Xue, Yuzhen; Ludovice, Peter J.; Grover, Martha A.; Nedialkova, Lilia V.; Dsilva, Carmeline J.; et al

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DC Field	Value	Language
dc.contributor.author	Xue, Yuzhen	-
dc.contributor.author	Ludovice, Peter J.	-
dc.contributor.author	Grover, Martha A.	-
dc.contributor.author	Nedialkova, Lilia V.	-
dc.contributor.author	Dsilva, Carmeline J.	-
dc.contributor.author	Kevrekidis, Ioannis G.	-
dc.date.accessioned	2021-10-08T19:58:20Z	-
dc.date.available	2021-10-08T19:58:20Z	-
dc.date.issued	2013-04-05	en_US
dc.identifier.citation	Xue, Y, Ludovice, PJ, Grover, MA, Nedialkova, LV, Dsilva, CJ, Kevrekidis, IG. (2013). State reduction in molecular simulations. Computers and Chemical Engineering, 51 (102 - 110). doi:10.1016/j.compchemeng.2012.06.029	en_US
dc.identifier.issn	0098-1354	-
dc.identifier.uri	http://arks.princeton.edu/ark:/88435/pr1vp0x	-
dc.description.abstract	Model reduction is an important systems task with a long history in traditional chemical engineering modeling. We discuss its interplay with modern data-mining tools (such as Local Feature Analysis and Diffusion Maps) through illustrative examples, and comment on important open issues regarding applications to large systems arising in molecular/atomistic simulations. © 2012 Elsevier Ltd.	en_US
dc.format.extent	102 - 110	en_US
dc.language.iso	en_US	en_US
dc.relation.ispartof	Computers and Chemical Engineering	en_US
dc.rights	Author's manuscript	en_US
dc.title	State reduction in molecular simulations	en_US
dc.type	Journal Article	en_US
dc.identifier.doi	doi:10.1016/j.compchemeng.2012.06.029	-
pu.type.symplectic	http://www.symplectic.co.uk/publications/atom-terms/1.0/journal-article	en_US

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