Child pages
  • Abstract: COMPUTATIONAL STUDIES ON PHYSICAL AND CHEMICAL PROPERTIES
Skip to end of metadata
Go to start of metadata

This is a renewal on our proposal (TG-CHE 150074). We are requesting a total of 500,000 SUs (225,000 SUs on SDSC Comet, 225,000 SUs on PSC Bridges, and 50,000 SUs on SuperMIC). This renewal is also the separated application of XSEDE computational resource for our pending NSF proposal.
We will continue to work on four projects so that we can understand the origin of the physical and chemical properties, and design compounds with new properties accordingly: 1.) Optical rotation dispersion; 2.) Reactivity of chemical compounds; 3.) Excited state properties; and 4.) Redox reactions. This proposal considers the unique demands of primary undergraduate institutions (PUIs). XSEDE resources are crucial for our research.

  • No labels