CALCD

Director(s):

James Spivey

Lead Institution:

Louisiana State University

Years:

2009-2014

Mission:

To build effective catalysts from first principles via computational catalysis and atomic-level synthesis.

Research Topics:

catalysis (heterogeneous), hydrogen and fuel cells, charge transport, carbon capture, carbon sequestration, materials and chemistry by design, synthesis (novel materials)

Materials Studied:

INTERFACES: gas/liquid, gas/solid

NANOSTRUCTURED MATERIALS: 2D, 3D

Experimental and Theoretical Methods:

X-ray diffraction and scattering, X-ray imaging, X-ray spectroscopy, electron microscopy, surface science, ultrafast physics, molecular dynamics (MD), density functional theory (DFT), monte carlo (MC), quantum mechanics, multiscale modeling