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

Paul, , Bezer, S, Venkatramani, R, Kocsis, L, Wierzbinski, E, Balaeff, A, Keinan, S, Beratan, DN, Achim, C, and Waldeck, DH. "Role of Nucleobase Energetics in Single Stranded Peptide Nucleic Acid Charge Transfer." J. Am. Chem. Soc 131 (2009): 6498-6507. (Academic Article)

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