CALCD

Center for Atomic-Level Catalyst Design (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
 
Map of institutions in EFRC

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

BES Staff Contact:

Jeffrey L. Krause