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  • M. M. Faruque Hasan, Eric L. First, Fani Boukouvala, Christodoulos A. Floudas
  • Mathematics, Computer Science
  • Computers & Chemical Engineering
  • 2015 (First Published: 1 October 2015)
  • Abstract We present a multi-scale framework for the optimal design of CO 2 capture, utilization, and sequestration (CCUS) supply chain network to minimize the cost while reducing stationary CO 2Continue Reading
  • Eric L. First, Chrysanthos E. Gounaris, Christodoulos A. Floudas
  • Mathematics, Medicine, Computer Science
  • Journal of Chemical Information and Modeling
  • 2012 (First Published: 23 January 2012)
  • Reaction mappings are of fundamental importance to researchers studying the mechanisms of chemical reactions and analyzing biochemical pathways. We have developed an automated method based on integerContinue Reading
  • Chrysanthos E. Gounaris, Eric L. First, Christodoulos A. Floudas
  • Chemistry, Medicine
  • The Journal of chemical physics
  • 2013 (First Published: 28 September 2013)
  • The complex nature of the porous networks in microporous materials is primarily responsible for a high degree of intracrystalline diffusion anisotropy. Although this is a well-understood phenomenon,Continue Reading
  • Eric L. First, Chrysanthos E. Gounaris, Christodoulos A. Floudas
  • Chemistry, Medicine
  • Langmuir : the ACS journal of surfaces and…
  • 2013 (First Published: 7 May 2013)
  • With the growing number of zeolites and metal-organic frameworks (MOFs) available, computational methods are needed to screen databases of structures to identify those most suitable for applicationsContinue Reading