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.
UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):
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Profiles
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Melanie F Burns
- Mechanical Engineering - Research Manager
- Nanoporous Materials Genome Center - Managing Director
- Inorganometallic Catalyst Design Center - Managing Director
Person: Researchers, Executive, Administrative, and Managerial Staff
Projects
- 2 Finished
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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
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Influence of 1-Butene Adsorption on the Dimerization Activity of Single Metal Cations on UiO-66 Nodes
Löbbert, L., Chheda, S., Zheng, J., Khetrapal, N., Schmid, J., Zhao, R., Gaggioli, C. A., Camaioni, D. M., Bermejo-Deval, R., Gutiérrez, O. Y., Liu, Y., Siepmann, J. I., Neurock, M., Gagliardi, L. & Lercher, J. A., Jan 18 2023, In: Journal of the American Chemical Society. 145, 2, p. 1407-1422 16 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Monte Carlo Simulations of Water Adsorption in Aluminum Oxide Rod-Based Metal-Organic Frameworks
Chheda, S., Jeong, W. S., Hanikel, N., Gagliardi, L. & Siepmann, J. I., Apr 27 2023, In: Journal of Physical Chemistry C. 127, 16, p. 7837-7851 15 p.Research output: Contribution to journal › Article › peer-review
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Radical ring-opening polymerization of sustainably-derived thionoisochromanone
Prebihalo, E. A., Luke, A. M., Reddi, Y., LaSalle, C. J., Shah, V. M., Cramer, C. & Reineke, T. M., 2023, (Accepted/In press) In: Chemical Science.Research output: Contribution to journal › Article › peer-review
Open Access
Datasets
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Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densities
Graham, D. S., Wen, X., Chulhai, D. & Goodpaster, J. D., Data Repository for the University of Minnesota, May 7 2021
https://hdl.handle.net/11299/219605
Dataset
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Supporting Data for "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains"
Shen, Z., Chen, J., Vernadskaia, V., Ertem, S. P., Mahanthappa, M., Hillmyer, M. A., Reineke, T. M., Lodge, T. & Siepmann, I., Data Repository for the University of Minnesota, May 11 2020
DOI: 10.13020/7zcr-w347, https://hdl.handle.net/11299/214077 and one more link, http://hdl.handle.net/11299/214077 (show fewer)
Dataset