Towards robust fabrication of non-periodic nanoscale systems via directed self assembly

Richard Lakerveld, George Stephanopoulos, Paul I. Barton

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


Robust directed self assembly of non-periodic nanoscale structures is a key tool that would enable various technological breakthroughs. The dynamics of directed self assembly face challenges as a result of the rugged potential energy surface of nanoscale systems. The development of a dynamic model involving a master equation to simulate directed self assembly is presented. The model describes the probability of each possible configuration of a fixed number of nanoparticles as function of time during self assembly. Two case studies demonstrate the ability of the model to represent kinetic traps. In future work, the approach presented will be used for dynamic optimization of self assembly in order to identify optimal routes towards desired nanoscale structures.

Original languageEnglish (US)
Pages (from-to)1603-1607
Number of pages5
JournalComputer Aided Chemical Engineering
StatePublished - 2011
Externally publishedYes


  • Dynamic simulation
  • Master equation
  • Nanoscale systems
  • Self assembly

ASJC Scopus subject areas

  • General Chemical Engineering
  • Computer Science Applications


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