Computational Modeling Of Molecular-Based Materials For Sustainable Energy
EMSL Project ID
50124
Abstract
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 to catalyze reactions related to natural gas conversion from gas to liquid. We also plan to use the high-performance supercomputing facility of the Cascade Supercomputer for computing structural, electronic, electrical and transport properties for inorganic solar cell materials such as perovskites. Finally we plan to study charge transport and spectroscopic properties of different biological systems.
Project Details
Start Date
2017-11-28
End Date
2018-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members