About this research

To cite this work, please use the following citation:

Christopher E. Wilmer, Michael Leaf, Chang Yeon Lee, Omar K. Farha, Brad G. Hauser, Joseph T. Hupp and Randall Q. Snurr, "Large-scale screening of hypothetical metal-organic frameworks," Nature Chemistry (2012), doi:10.1038/nchem.1192.

This database of hypothetical MOFs, and the algorithms required to generate it, were created by:

Christopher E. Wilmer (c.wilmer@u.northwestern.edu)

Michael Leaf (michaelleaf2007@u.northwestern.edu)

Prof. Randall Q. Snurr (snurr@northwestern.edu)

We would also like to acknowledge the extensive input from Prof. Omar K. Farha and Prof. Joseph T. Hupp on the choice of building blocks to use for this database.