Faculty Profiles

David N. Beratan
R.J. Reynolds Professor of Chemistry
5311 French Science Center, Durham, NC 27708
(919) 660-1526
(919 660-1605



Ph.D., California Institute of Technology 1986

B.S., Duke University 1980

Research Areas:
Theoretical, Physical, Biomolecular Structure and Function, Biological, Education, Inorganic, Nanoscience and Materials

Keinan, S, Therien, MJ, Beratan, DN, and Yang, W. "Molecular design of porphyrin-based nonlinear optical materials." J Phys Chem A 112.47 (November 27, 2008): 12203-12207. Full Text

Balamurugan, D, Yang, W, and Beratan, DN. "Exploring chemical space with discrete, gradient, and hybrid optimization methods." J Chem Phys 129.17 (November 7, 2008): 174105-. Full Text

Balabin, IA, Beratan, DN, and Skourtis, SS. "Persistence of structure over fluctuations in biological electron-transfer reactions." Phys Rev Lett 101.15 (October 10, 2008): 158102-. Full Text

He, W, Hatcher, E, Balaeff, A, Beratan, DN, Gil, RR, Madrid, M, and Achim, C. "Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations." J Am Chem Soc 130.40 (October 8, 2008): 13264-13273. Full Text

Keinan, S, Paquette, WD, Skoko, JJ, Beratan, DN, Yang, W, Shinde, S, Johnston, PA, Lazo, JS, and Wipf, P. "Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B." Org Biomol Chem 6.18 (September 21, 2008): 3256-3263. Full Text

Hatcher, E, Balaeff, A, Keinan, S, Venkatramani, R, and Beratan, DN. "PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms." J Am Chem Soc 130.35 (September 3, 2008): 11752-11761. Full Text

Xiao, D, Bulat, FA, Yang, W, and Beratan, DN. "A donor-nanotube paradigm for nonlinear optical materials." Nano Lett 8.9 (September 2008): 2814-2818. Full Text

Hu, X, Beratan, DN, and Yang, W. "A gradient-directed Monte Carlo approach to molecular design." J Chem Phys 129.6 (August 14, 2008): 064102-. Full Text

Hu, X, Beratan, DN, and Yang, W. "A gradient-directed Monte Carlo approach to molecular design." JOURNAL OF CHEMICAL PHYSICS 129.6 (August 14, 2008). Full Text

Xiao, D, Yang, W, and Beratan, DN. "Inverse molecular design in a tight-binding framework." J Chem Phys 129.4 (July 28, 2008): 044106-. Full Text