Perspective: AIChE 2011 R. H. Wilhelm Award in Chemical Reaction Engineering

Multiscale modeling for emergent behavior, complexity, and combinatorial explosion

  1. Dionisios G. Vlachos*

Article first published online: 29 MAR 2012

DOI: 10.1002/aic.13803

Issue

AIChE Journal

AIChE Journal

Volume 58, Issue 5, pages 1314–1325, May 2012

Additional Information

How to Cite

Vlachos, D. G. (2012), Multiscale modeling for emergent behavior, complexity, and combinatorial explosion. AIChE J., 58: 1314–1325. doi: 10.1002/aic.13803

Author Information

  1. Dept. of Chemical Engineering, Catalysis Center for Energy Innovation and Center for Catalytic Science and Technology, University of Delaware, Newark, DE 19716

*Dept. of Chemical Engineering, Catalysis Center for Energy Innovation and Center for Catalytic Science and Technology, University of Delaware, Newark, DE 19716

Publication History

  1. Issue published online: 6 APR 2012
  2. Article first published online: 29 MAR 2012
  3. Accepted manuscript online: 21 MAR 2012 09:07AM EST

Funded by

  • National Science Foundation (NSF). Grant Number: CMMI-0835673, dynamics of catalysts; and CBET-940768, design of emergent materials
  • Department of Energy (DOE). Grant Number: DE-FG02-05ER25702; kinetic Monte Carlo methods and structure-related microkinetic modeling
  • U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Grant Number: DE-SC0001004

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