Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials
Theisen, Kevin Smit, Berend Haranczyk, Maciej
U.S. Department of Energy [DE-ACO2-05CH11231]; DOE Office of Basic Energy Sciences ; Office of Advanced Scientific Computing Research [CSNEW918]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015]
We would like to thank Prof. Vladislav Blatov and Prof. Davide Proserpio for provision of the zeolite structures contained in IZA database in a format suitable for the TOPOS package as well as their invaluable help regarding its use. M.H. is a 2008 Seaborg Fellow at Lawrence Berkeley National Laboratory. This research was supported in part (to M.H.) by the U.S. Department of Energy under contract DE-ACO2-05CH11231. This work was also supported in part (to M.H.) jointly by DOE Office of Basic Energy Sciences and the Office of Advanced Scientific Computing Research through SciDAC project #CSNEW918 entitled "Knowledge guided screening tools for identification of porous materials for CO2 separations". K.T. and B.S. were supported as part of the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001015.
Record created on 2014-08-14, modified on 2016-08-09