Du Zhang


Duke University
Department of Chemistry
124 Science Drive
Durham, NC 27708

Phone: 919-160-1640



Du Zhang received his BSc degree in chemistry from Nanjing University in 2011 and was a graduate student and PhD candidate in the Yang group at Duke chemistry.

Research Interests
Development of electronic structure methods for excited states based on Green’s function and time-dependent density functional theory formalisms

Honors & Awards

  • 2015 Joe Taylor Adam fellowship of Duke University


  • D. Zhang, S. Steinmann, W. Yang, Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation, J. Chem. Phys. 139, 154109 (2013)
  • D. Zhang, D. Peng, P. Zhang, W. Yang, Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation, Phys. Chem. Chem. Phys. 17, 1025-1038 (2015)

Contributed Talks

  • Poster presentation: Theoretical study of catalytic water oxidation with monomeric and dimeric ruthenium complexes, The Southeastern Regional Meeting of American Chemical Society, Raleigh, NC, Nov 14-17 (2012)
  • Oral presentation: Dynamical second-order Bethe-Salpeter Equation for electronic excitations, APS March Meeting, Denver, CO, Mar 2-7 (2014)
  • Poster presentation: Catalytic water oxidation with single-site copper and ruthenium complexes: a computational study, The UNC Energy Frontier Research Center (EFRC) Annual Review, Chapel Hill, NC, May 21-22 (2014)
  • Oral presentation: Analytic gradient, geometry optimization and excited state potential energy surfaces from pairing matrix fluctuations and the particle-particle random phase approximation, Excited States and Time-dependent Electronic Structure Theory Workshop, Telluride, CO, July 14-18 (2014)