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

De Mey, K, Clays, K, Therien, MJ, Beratan, DN, and Asselberghs, I. "Analysis of the unusual wavelength dependence of the first hyperpolarizability of porphyrin derivatives." Linear and Nonlinear Optics of Organic Materials X (August 19, 2010). Full Text

Hu, X, Hu, H, Beratan, DN, and Yang, W. "A gradient-directed Monte Carlo approach for protein design." J Comput Chem 31.11 (August 2010): 2164-2168. Full Text

Xing, Y, Park, T-H, Venkatramani, R, Keinan, S, Beratan, DN, Therien, MJ, and Borguet, E. "Optimizing single-molecule conductivity of conjugated organic oligomers with carbodithioate linkers." J Am Chem Soc 132.23 (June 16, 2010): 7946-7956. Full Text Open Access Copy

Ben-Moshe, V, Nitzan, A, Skourtis, SS, and Beratan, DN. "Steady-State Theory of Current Transfer." The Journal of Physical Chemistry C 114.17 (May 6, 2010): 8005-8013. Full Text Open Access Copy

Hu, X, Xiao, D, Keinan, S, Asselberghs, I, Therien, MJ, Clays, K, Yang, W, and Beratan, DN. "Predicting the Frequency Dispersion of Electronic Hyperpolarizabilities on the Basis of Absorption Data and Thomas−Kuhn Sum Rules." The Journal of Physical Chemistry C 114.5 (February 11, 2010): 2349-2359. Full Text Open Access Copy

Skourtis, SS, Waldeck, DH, and Beratan, DN. "Fluctuations in biological and bioinspired electron-transfer reactions." Annual Review of Physical Chemistry 61 (January 2010): 461-485. (Review) Full Text

Hammill, JT, Contreras-García, J, Virshup, AM, Beratan, DN, Yang, W, and Wipf, P. "Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones." Tetrahedron 66.31 (2010): 5852-5862. Full Text

Lin, Z, Lawrence, CM, Xiao, D, Kireev, VV, Skourtis, SS, Sessler, JL, Beratan, DN, and Rubtsov, IV. "Modulating unimolecular charge transfer by exciting bridge vibrations." Journal of the American Chemical Society 131.50 (December 2009): 18060-18062. Full Text Open Access Copy

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 (December 2009): 3321-3329. Full Text

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