@article{39341,
  keywords = {geometric diffusions, harmonic-analysis, nonlinear dimensionality reduction, structure definition, Principal Component Analysis, diffusion maps, Model reduction, component analysis, Data mining, essential dynamics, Local   Feature Analysis, local feature analysis, relate 2   sets, statistical-theory},
  author = {Yuzhen Xue and Peter Ludovice and Martha Grover and Lilia Nedialkova and Carmeline Dsilva and Ioannis Kevrekidis},
  title = {State reduction in molecular simulations},
  abstract = { <p>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. (C) 2012 Elsevier Ltd. All rights reserved.</p> },
  year = {2013},
  journal = {Computers \& Chemical Engineering},
  volume = {51},
  pages = {102-110},
  month = {04/2013},
  isbn = {0098-1354},
  language = {English},
}