260 Accelerated Discovery and Development of Inorganic Materials

Tuesday, November 10, 2015: 8:30 AM - 11:00 AM
251E (Salt Palace Convention Center)

Description:
This session targets the increasing work on high-throughput computational/experimental screening, selection, evaluation, and genomics of inorganic materials.

Sponsor:
Inorganic Materials
Chair:
Sankar Nair Email: sankar.nair@chbe.gatech.edu
Co-chairs:
Wei Fan Email: wfan@ecs.umass.edu
Sunho Choi Email: s.choi@neu.edu


8:30 AM
(260a) Discovery of Optimal Zeolites and Metal-Organic Frameworks for Challenging Separations and Chemical Conversions through Predictive Materials Modeling
J. Ilja Siepmann, Peng Bai, Emmanuel Haldoupis, Konstantinos D. Vogiatzis, Michael W. Deem, Michael Tsapatsis and Laura Gagliardi


8:55 AM
(260b) Study of the Self-Assembly Process of Microporous Materials Using Molecular Modeling
Mohammad Navaid Khan, Scott M. Auerbach and Peter A. Monson


9:20 AM
(260c) First-Principles Study of Chemical Warfare Agent Decomposition on Metal-Organic Frameworks
Peilin Liao, Pritha Ghosh and Randall Q. Snurr


9:45 AM
(260d) A Molecular Mechanics Study of the Zeolites with Uniform and Random Al Distributions
Koki Muraoka, Watcharop Chaikittisilp and Tatsuya Okubo


10:10 AM
Break


10:35 AM
(260f) Nano-Engineered Materials for Energy Applications
Michael Z. Hu
See more of this Group/Topical: Materials Engineering and Sciences Division
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