Center for Computational Molecular Science and Technology Georgia Institute of Technology Center for Computational Molecular Science and Technology School of Chemistry and Biochemistry

Jean-Luc Brédas

Co-director



School of Chemistry and Biochemistry

Georgia Institute of Technology

Office: MS&E 2100M

Phone: 404-385-4985

E-mail Jean-Luc Brédas

view website

Publications with CCMST support:

  • Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals, J. S. Sears, T. Koerzdoerfer, CR Zhang and JL Bredas, Journal Of Chemical Physics, 135, 151103 [2011]
  • Design of Efficient Am bipolar Host Materials for Organic Blue Electrophosphorescence: Theoretical Characterization of Hosts Based on Carbazole Derivatives, D. Kim, V. Coropceanu and JL Bredas, Journal of the American Chemical Society, 133, 17895-17900 [2011]
  • An Error and Efficiency Analysis of Approximations to Moller-Plesset Perturbation Theory, M. S. Marshall, J. S. Sears, L. A. Burns, JL Bredas and C. D. Sherrill, Journal of Chemical Theory and Computation, 6, 3681-3687 [2010]
  • Organic Photovoltaics, Kippelen, B, Bredas, JL, Energy & Environmental Science, 2, 251-261 [2009]
  • Quantum-Chemical Approach To Electronic Coupling: Application To Charge Separation And Charge Recombination Pathways In A Model Molecular Donor-Acceptor System For Organic Solar Cells, Kawatsu, T; Coropceanu, V; Ye, AJ; Bredas, JL, Journal Of Physical Chemistry C, 112, 3429-3433 [2008]