David N. Beratan, R.J. Reynolds Professor of Chemistry and Professor of Physics and Faculty Network Member of The Energy Initiative  

David N. Beratan

Office Location: 5311 French Science Center, Durham, NC 27708
Office Phone: (919) 660-1526
Email Address: david.beratan@duke.edu
Web Page: http://people.chem.duke.edu/~beratan

Specialties:
Physical
Theory and Modeling
Biomolecular Structure and Function
Nanoscience and Materials

Education:
Ph.D., California Institute of Technology, 1986
B.S., Duke University, 1980

Research Description: Dr. Beratan is developing theoretical approaches to understand the function of complex molecular and macromolecular systems, including: the molecular underpinnings of energy harvesting and charge transport in biology; the mechanism of solar energy capture and conversion in man-made structures; the nature of charge conductivity in naturally occurring nucleic acids and in synthetic constructs, including the photochemical repair of damaged DNA in extremophiles; CH bond activation by copper oxygenase enzymes; the flow of charge in bacterial appendages on the micrometer length scale; the theoretical foundations for inverse molecular design - the property driven discovery of chemical structures with optimal properties; the exploitation of molecular diversity in the mapping of molecular and materials "space"; the use of infra-red excitation to manipulate electron transport through molecules; the optical signatures of molecular chirality and the influence of chirality on charge transport. Prof. Beratan is affiliated with the Departments of Chemistry, Biochemistry, Physics, as well as Duke's programs in Computational Biology and Bioinformatics, Structural Biology and Biophysics, Nanosciences, and Phononics.

Teaching (Fall 2020):

  • Chem 590.01, Special topics in chemistry Synopsis
    French sci 2237, TuTh 05:15 PM-06:30 PM
  • Chem 590.02, Special topics in chemistry Synopsis
    Online on, TuTh 05:15 PM-06:30 PM

Recent Publications   (More Publications)

  1. Yuly, JL; Zhang, P; Lubner, CE; Peters, JW; Beratan, DN, Universal free-energy landscape produces efficient and reversible electron bifurcation., Proceedings of the National Academy of Sciences of the United States of America, vol. 117 no. 35 (September, 2020), pp. 21045-21051 [doi]  [abs].
  2. Teo, RD; Migliore, A; Beratan, DN, Mutation effects on charge transport through the p58c iron-sulfur protein, Chem. Sci., vol. 11 no. 27 (July, 2020), pp. 7076-7085 [doi]  [abs].
  3. Zheng, L; Migliore, A; Beratan, DN, Electrostatic Field-Induced Oscillator Strength Focusing in Molecules., Journal of Physical Chemistry B, vol. 124 no. 29 (July, 2020), pp. 6376-6388 [doi]  [abs].
  4. Xiang, L; Zhang, P; Liu, C; He, X; Li, HB; Li, Y; Wang, Z; Hihath, J; Kim, SH; Beratan, DN; Tao, N, Conductance and Configuration of Molecular Gold-Water-Gold Junctions under Electric Fields, Matter, vol. 3 no. 1 (July, 2020), pp. 166-179 [doi]  [abs].
  5. Li, X; Valdiviezo, J; Banziger, SD; Zhang, P; Ren, T; Beratan, DN; Rubtsov, IV, Symmetry controlled photo-selection and charge separation in butadiyne-bridged donor-bridge-acceptor compounds., Physical Chemistry Chemical Physics : Pccp, vol. 22 no. 17 (May, 2020), pp. 9664-9676 [doi]  [abs].

Highlight:
Dr. Beratan is developing theoretical approaches to understand the function of complex molecular and macromolecular systems, including: the molecular underpinnings of energy harvesting and charge transport in biology; the mechanism of solar energy capture and conversion in man-made structures; the nature of charge conductivity in naturally occurring nucleic acids and in synthetic constructs, including the photochemical repair of damaged DNA in extremophiles; CH bond activation by copper oxygenase enzymes; the flow of charge in bacterial appendages on the micrometer length scale; the theoretical foundations for inverse molecular design - the property driven discovery of chemical structures with optimal properties; the exploitation of molecular diversity in the mapping of molecular and materials "space"; the use of infra-red excitation to manipulate electron transport through molecules; the optical signatures of molecular chirality and the influence of chirality on charge transport. Prof. Beratan is affiliated with the Departments of Chemistry, Biochemistry, Physics, as well as Duke's programs in Computational Biology and Bioinformatics, Structural Biology and Biophysics, Nanosciences, and Phononics.  

Current Ph.D. Students   (Former Students)

  • Goke Ojewole  
  • Zheng Ma  
  • Chaoren Liu  
  • Chetan Rupakheti  
  • Ruibin Liu  
  • Gary Zhang  
  • Jiaxing Lin  
  • Nicholas Polizzi  
  • Yves Wang  
  • Nan Jiang  
Postdocs Mentored

  • Agostino Migliore (2013/01-present)  
  • Shoresh Shafai (2013/01-present)  
  • David Minh (2011 - 2013)  
  • Julia Contreras-Garcia (2009 - 2011)  
  • Aaron Virshup (2009/12-present)  
  • Aleksey Kuznetsov (2009-2013)  
  • Christopher Rinderspacher (2007 - 2009)  
  • Elizabeth Hatcher (2006-2007)  
  • Balamurugan Desinghu (2006 - 2010)  
  • Ravindra Venkatramani (2006-2012)  
  • Xiangqian Hu (2005-2011)  
  • Alexander Balaeff (2005-2012)  
  • Gerard Zuber (2004 - 2008)  
  • Shahar Keinan (2004 - 2011)  
  • Ilya Balabin (2004 - 2009)