Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 2)

Project: Research project

Description

Predictive Hierarchical Modeling of Chemical Separations and Transformations in Functional Nanoporous Materials: Synergy of Electronic Structure Theory, Molecular Simulations, Machine Learning, and Experiment
AcronymNMGC
StatusActive
Effective start/end date9/1/178/31/21

Funding

  • United States Department of Energy

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Functional materials
Electronic structure
Learning systems
Experiments