Exploring new methods and materials for enantioselective separations and catalysis

David Dubbeldam, Sofia Calero, Thijs J.H. Vlugt

Research output: Contribution to journalArticleAcademicpeer-review

16 Citations (Scopus)


In this article, we will review and highlight some recent computational work on enantioselective adsorption and catalysis in zeolites and metal-organic frameworks. The design, development and understanding of chiral structures will help expand the utility of nanoporous materials into chiral technology. The highlighted works are examples of how molecular simulations can provide a fundamental understanding of chirality in nanoporous materials. This understanding is essential to help in the design and development of next-generation enantioselective separation devices and catalysts.

Original languageEnglish
Pages (from-to)585-598
Number of pages14
JournalMolecular Simulation
Issue number7-9
Publication statusPublished - 1 Aug 2014
Externally publishedYes


  • catalysis
  • chirality
  • metal-organic frameworks
  • molecular simulation
  • separations


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