Faculty Profiles

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

Overview

Education:

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

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

Parks, JM, Kondru, RK, Hu, H, Beratan, DN, and Yang, W. "Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding." J Phys Chem B 112.10 (March 13, 2008): 3168-3176. Full Text

Zuber, G, Wipf, P, and Beratan, DN. "Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering." Chemphyschem 9.2 (February 1, 2008): 265-271. Full Text

Zuber, G, Wipf, P, and Beratan, DN. "Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering." CHEMPHYSCHEM 9.2 (February 1, 2008): 265-271. Full Text

Beratan, DN, and Balabin, IA. "Heme-copper oxidases use tunneling pathways." Proc Natl Acad Sci U S A 105.2 (January 15, 2008): 403-404. Full Text

Parks, JM, Kondru, RK, Hua, H, Beratan, DN, and Yang, W. "Hepatitis C virus NS5B polymerase: Important roles of the internal energy and van der Waals interactions from QM/MM calculations." J.Phys.Chem.B 112 (2008): 3168-3176. (Academic Article)

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