Research Interests for David N. Beratan

Research Interests:

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.

bioenergetics, Biophysics, Biosensing Techniques, Chemistry, Physical, chemistry, physical and theoretical, Drug Design, electron transfer theory, Electron Transport, Electronics, Energy Transfer, inverse design, Models, Theoretical, Nanotechnology, Optical Rotation, Oxidation-Reduction, Oxides, Oxidoreductases, Quantum Theory, Semiconductors, Stochastic Processes, theory of chirality, tunneling pathways
Recent Publications
  1. P Antoniou, Z Ma, P Zhang, DN Beratan and SS Skourtis, Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime., Physical chemistry chemical physics : PCCP, vol. 17 no. 46 (November, 2015), pp. 30854-30866, ISSN 1463-9076 [doi[abs]
  2. NF Polizzi, A Migliore, MJ Therien and DN Beratan, Defusing redox bombs?, Proceedings of the National Academy of Sciences of the United States of America, vol. 112 no. 35 (September, 2015), pp. 10821-10822, ISSN 0027-8424 [doi]
  3. Y Zhang, RM Young, AK Thazhathveetil, AP Singh, C Liu, YA Berlin, FC Grozema, FD Lewis, MA Ratner, N Renaud, K Siriwong, AA Voityuk, MR Wasielewski and DN Beratan, Conformationally Gated Charge Transfer in DNA Three-Way Junctions., The journal of physical chemistry letters, vol. 6 no. 13 (July, 2015), pp. 2434-2438 [doi[abs]
  4. Correction for Migliore et al., Sensing of molecules using quantum dynamics, Proceedings of the National Academy of Sciences, vol. 112 no. 25 (June, 2015), pp. E3310-E3310, ISSN 0027-8424 [doi]
  5. J Lin, D Balamurugan, P Zhang, SS Skourtis and DN Beratan, Two-Electron Transfer Pathways., The journal of physical chemistry. B, vol. 119 no. 24 (June, 2015), pp. 7589-7597, ISSN 1520-6106 [doi[abs]