CALCD
![Center for Atomic-Level Catalyst Design (CALCD)](/-/media/bes/efrc/images/centers/calcd-header.jpg?w=500&h=167&as=1&hash=CDB53814795D7D1C8FBBEB6DACD16904347764B70B9D44BA2A24E1DCAAC206E2)
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
![Map of institutions in EFRC](/-/media/bes/efrc/images/centers/calcd/CALCD_map.jpg?w=250&as=1&hash=B579F60B66C5888DBB55F5736B9691A50F7E4B243D69AD757D17E42BD0DD11EC)
Partner Institutions:
- Clemson University
- University of Florida
- Georgia Institute of Technology
- Grambling State University
- Louisiana State Univesity
- Ohio State University
- Pennsylvania State
- Texas A&M University
- Vienna University of Technology, Austria
- University of Utrecht, Netherlands