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

Hu, X, Beratan, DN, and Yang, W. "Emergent strategies for inverse molecular design." Science in China, Series B: Chemistry 52.11 (2009): 1769-1776. Full Text

Rinderspacher, BC, Andzelm, J, Rawlett, A, Dougherty, J, Beratan, DN, and Yang, W. "Discrete optimization of electronic hyperpolarizabilities in a chemical subspace." Journal of Chemical Theory and Computation 5.12 (2009): 3321-3329. Full Text

Venkatramani, R, Zang, DY, Oh, C, Grote, J, and Beratan, D. "Photoconductivity and current-voltage characteristics of thin DNA films: Experiments and modeling." Proceedings of SPIE - The International Society for Optical Engineering 7403 (2009). Full Text

Skourtis, SS, Beratan, DN, Naaman, R, Nitzan, A, and Waldeck, DH. "Chiral control of electron transmission through molecules." Phys Rev Lett 101.23 (December 5, 2008): 238103-. Full Text

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