Jing Xie

University of Minnesota

0000-0001-9676-5734

Projects

Catalysis from Metalated Zr6- and Hf6-Based Metal-Organic Frameworks

Lead Institution

University of Minnesota

Principal Investigator

Laura Gagliardi

Project type

Large-Scale EMSL Research

We would like to use the Cascade supercomputer to compute the structures, spectroscopic properties, and reactive capabilities of Zr6 based Metal-Organic Frameworks (MOFs) functionalized with metal…

Computational Modeling Of Molecular-Based Materials For Sustainable Energy

Lead Institution

University of Minnesota

Principal Investigator

Laura Gagliardi

The goal of this research project is to model the structures and properties of catalysts formed by metal oxide clusters deposited at the nodes of metal organic frameworks. These materials are used…