382096 Development and Application of Ab-Initio Based Force Fields for Noble Gas Adsorption in MOFs

Thursday, November 20, 2014: 1:30 PM
212 (Hilton Atlanta)
Hakan Demir1, Jeffery A. Greathouse2 and David S. Sholl1, (1)School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA, (2)Geochemistry, Sandia National Laboratories, Albuquerque, NM

Abstracts:


Extended Abstract: File Not Uploaded
See more of this Session: First-Prin​ciples Simulation​s of Condensed Phases
See more of this Group/Topical: Computational Molecular Science and Engineering Forum