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.


Cerium Metal–Organic Framework Proposed for Photocatalysis
Dr. Xin-Ping Wu, a postdoctoral scholar working with Don Truhlar and Laura Gagliardi, has proposed that metal–organic frameworks (MOFs) containing cerium would also be good photocatalysts; with research supported by the Nanoporous Materials Genome Center

Trap Nasty Carbon Dioxide, Save the World, Become a Master of Filtering
For more than a year, NMGC researchers worked to create a game, that lets players design and test brand new Metal Organic Frameworks (MOFs) within an interactive game center.

Finding Ideal Materials for Carbon Capture
Researchers at Northwestern University have discovered a way to rapidly identify top candidates for carbon capture — using just 1 percent of the computational effort that was previously required.

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December, 2018 | Advisory Board Member Joachim Sauer wins the 2019 Schrödinger Medal

November 27, 2018 | NMGC members included in Highly Cited Researcher List

September 17, 2018 | Professors Long and Truhlar Receive 2019 ACS Awards

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This research is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Awards DE-FG02-12ER16362 (Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis) and DE-FG02-17ER16362 (Predictive Hierarchical Modeling of Chemical Separations and Transformations in Functional Nanoporous Materials: Synergy of Electronic Structure Theory, Molecular Simulations, Machine Learning, and Experiment).

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Broader Impacts

The Center was started as part of the Materials Genome Initiative (MGI), a multi-agency initiative designed to create a research infrastructure at U.S. institutions that enables the research enterprise to discover, manufacture, and deploy advanced materials twice as fast, at a fraction of the cost. Predictive Theory and Modeling of Chemical Systems are goals of the DOE Basic Energy Sciences Computational Chemical Sciences Initiative. Software developed by NMGC also contributes to the Exascale Computing Initiative.


Partner Institutions

Partner Institutions: University of Minnesota, University of Toronto, University of Southern California, University of Florida, U. C. Berkeley, Cornell, Northwestern, Berkeley Lab and Georgia Institute of Technology
  • University of Minnesota
  • University of Toronto
  • University of Southern California
  • University of Florida
  • University of California, Berkeley
  • Cornell University
  • Northwestern University
  • Berkeley Lab
  • Georgia Institute of Technology