Computational Design for Metal Organic Responsive Frameworks (MORFs)

Graduate Thesis Or Dissertation

Public Deposited

Citeable URL: https://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/fb494d69w

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Attribute Name	Values
Creator	Manion, Charles A.
Abstract	Metal organic Frameworks (MOFs) that experience stimuli induced structural transformation could enable a whole new class of materials with remarkable properties. Photoactuating moieties in the structure could effect changes in the pore space or macroscale shape change enabling light driven gas separation and actuators. Here, we present a novel approach based on using graph grammars that makes the problem of discovering MOFs for specific applications amenable to powerful artificial intelligence tree search algorithms. We develop methods for rapidly evaluating MOFs for structural transitions. We will show how this approach may be used to computationally search for candidate MOFs that undergo reversible stimuli induced structural transformation.
License	All rights reserved
Resource Type	Dissertation
Date Available	2017-06-21T20:15:55+00:00
Date Issued	2017-06-14
Degree Level	Doctoral
Degree Name	Doctor of Philosophy (Ph.D.)
Degree Field	Mechanical Engineering
Degree Grantor	Oregon State University
Commencement Year	2017
Advisor	Campbell, Matthew I. Tumer, Irem
Committee Member	Greaney, P. Alex Tumer, Kagan Gibbons, Brady J. McIntyre, David H.
Academic Affiliation	Mechanical, Industrial, and Manufacturing Engineering
Non-Academic Affiliation	Oregon State University. Graduate School
Rights Statement	In Copyright
Publisher	Oregon State University
Peer Reviewed	No
Language	English [eng]
Replaces	http://hdl.handle.net/1957/61537

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