Faculty Profiles

David N. Beratan
R.J. Reynolds Distinguished 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., et al. “Predicting the frequency dispersion of electronic hyperpolarizabilities on the basis of absorption data and thomas-kuhn sum rules.” Journal of Physical Chemistry C, vol. 114, no. 5, Feb. 2010, pp. 2349–59. Scopus, doi:10.1021/jp911556x. Full Text Open Access Copy

Skourtis, Spiros S., et al. “Fluctuations in biological and bioinspired electron-transfer reactions.Annual Review of Physical Chemistry, vol. 61, Jan. 2010, pp. 461–85. Epmc, doi:10.1146/annurev.physchem.012809.103436. Full Text

Lin, Zhiwei, et al. “Modulating unimolecular charge transfer by exciting bridge vibrations.Journal of the American Chemical Society, vol. 131, no. 50, Dec. 2009, pp. 18060–62. Epmc, doi:10.1021/ja907041t. Full Text Open Access Copy

Rinderspacher, B. Christopher, et al. “Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace.Journal of Chemical Theory and Computation, vol. 5, no. 12, Dec. 2009, pp. 3321–29. Epmc, doi:10.1021/ct900325p. Full Text

Hu, X., et al. “Emergent strategies for inverse molecular design.” Science in China, Series B: Chemistry, vol. 52, no. 11, Nov. 2009, pp. 1769–76. Scopus, doi:10.1007/s11426-009-0260-3. Full Text

Beratan, David N., et al. “Steering electrons on moving pathways.Accounts of Chemical Research, vol. 42, no. 10, Oct. 2009, pp. 1669–78. Epmc, doi:10.1021/ar900123t. Full Text

Hu, Xiangqian, et al. “A gradient-directed Monte Carlo method for global optimization in a discrete space: application to protein sequence design and folding.The Journal of Chemical Physics, vol. 131, no. 15, Oct. 2009, p. 154117. Epmc, doi:10.1063/1.3236834. Full Text

Balabin, Ilya A., et al. “Coarse-grained modeling of allosteric regulation in protein receptors.Proceedings of the National Academy of Sciences of the United States of America, vol. 106, no. 34, Aug. 2009, pp. 14253–58. Epmc, doi:10.1073/pnas.0901811106. Full Text

Mukhopadhyay, Parag, et al. “Optical signatures of molecular dissymmetry: combining theory with experiments to address stereochemical puzzles.Accounts of Chemical Research, vol. 42, no. 6, June 2009, pp. 809–19. Epmc, doi:10.1021/ar8002859. Full Text