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|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.|
|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|
|Pages:||102 - 110|
|Type of Material:||Journal Article|
|Journal/Proceeding Title:||Computers and Chemical Engineering|
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