Projects per year
Organization profile
Organization profile
The Nanoporous Materials Genome Center (NMGC) discovers and explores microporous and mesoporous materials, including metal-organic frameworks (MOFs), zeolites, and porous polymer networks (PPNs). These materials find use as separation media and catalysts in many energy-relevant processes and their next generation computational design offers a high-payoff opportunity. Towards that end, the NMGC develops state-of-the-art predictive modeling tools and employs them to increase the pace of materials discovery. The NMGC provides a repository of experimental and predicted structures and associated properties for the rapidly growing scientific communities that are interested in using these materials in energy-relevant technologies.
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Profiles
Chris Cramer
- Administration (OVPR) - Vice President
- Inorganometallic Catalyst Design Center
- Nanoporous Materials Genome Center - Associate Director
Person: Executive, Administrative, and Managerial, Honorary
Projects
NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 1)
Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G., Tsapatsis, M. & Goodpaster, J. D.
9/1/12 → 8/31/17
Project: Research project
Research Output
One-dimensional intergrowths in two-dimensional zeolite nanosheets and their effect on ultra-selective transport
Kumar, P., Kim, D. W., Rangnekar, N., Xu, H., Fetisov, E. O., Ghosh, S., Zhang, H., Xiao, Q., Shete, M., Siepmann, J. I., Dumitrica, T., Mccool, B., Tsapatsis, M. & Mkhoyan, K. A., Apr 1 2020, In : Nature Materials. 19, 4, p. 443-449Research output: Contribution to journal › Article
A quantitative study of the structure–activity relationship in hierarchical zeolites using liquid-phase reactions
Xu, D., Abdelrahman, O., Ahn, S. H., Guefrachi, Y., Kuznetsov, A., Ren, L., Hwang, S., Khaleel, M., Al Hassan, S., Liu, D., Hong, S. B., Dauenhauer, P. & Tsapatsis, M., Mar 2019, In : AIChE Journal. 65, 3, p. 1067-1075 9 p.Research output: Contribution to journal › Article
5
Scopus
citations
Correlation between the velocity scattering angle and product relative translational energy for SN2 reactions. Comparison of experiments and direct dynamics simulations
Xie, J., Zhang, J., Sun, R., Wester, R. & Hase, W. L., Apr 2019, In : International Journal of Mass Spectrometry. 438, p. 115-123 9 p.Research output: Contribution to journal › Article