Graduate Student

Bo Peng

Department of Chemistry
University of Washington
311C Bagley Hall
Seattle, WA 98195-1700
Tel: (206) 543-2738


  • 2010 Ph.D. Inorganic Chemistry Institute of New Energy and Materials, Nankai University
  • 2005 B.S. Chemistry Nankai University

Awards and Honors

  • 2015 ACS: Chemical Computing Group Research Excellence Award


  1. B. Peng, P. J. Lestrange, J. J. Goings, M. Caricato, X. Li, “Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy,” J. Chem. Theory Comput., 2015, 11, 4146.
  2. B. Peng, D. B. Lingerfelt, F. Ding, C. Aikens, X. Li, “Real-Time TDDFT Studies of Exciton Decay and Transfer in Silver Nanowire Arrays,” J. Phys. Chem. C, 2015, 119, 6421.
  3. P. J. Lestrange, B. Peng, F. Ding, G. W. Trucks, M. J. Frisch, X. Li, “Density of States Guided Møller-Plesset Perturbation TheoryJ. Chem. Theory Comput., 2014, 10, 1910.
  4. B. Peng, J. W. May, D. R. Gamelin, X. Li, “Effects of Crystallographic and Shape Anisotropies on Dopant-Carrier Exchange Interactions in Magnetic Semiconductor Quantum Dots,” J. Phys. Chem. C, 2014, 118, 7630.
  5. B. Peng, B. E. Van Kuiken, F. Ding, X. Li, “A Guided Self-Consistent-Field Method for Excited State Wave Function Optimization: Applications to Ligand Field Transitions in Transition Metal Complexes,” J. Chem. Theory Comput., 2013, 9, 3933.
  6. B. Peng, W. Liang, M. A. White, D. R. Gamelin, X. Li, “Theoretical Evaluation of Spin-Dependent Auger De-Excitation in Mn2+-Doped Semiconductor Nanocrystals,” J. Phys. Chem. C, 2012, 116, 11223.
  7. B. Peng, F. Y. Cheng, Z. L. Tao, J. Chen, “Lithium transport at silicon thin film: Barrier for high-rate capability anode,” J. Chem. Phys., 2010, 133, 034701.
  8. B. Peng, S. Q. Yang, L. L. Li, F. Y. Cheng, J. Chen, “A density functional theory and time-dependent density functional theory investigation on the anchor comparison of triarylamine-based dyes,” J. Chem. Phys., 2010, 132, 034305.
  9. B. Peng, L. L. Li, W. Q. Ji, F. Y. Cheng, J. Chen, “A quantum chemical study on magnesium(Mg)/magnesium-hydrogen(Mg-H) nanowires,” J. Alloys Compd., 2009, 484, 308-313.
  10. B. Peng, J. Chen, “Functional materials with high-efficiency energy storage and conversion for batteries and fuel cells,” Coord. Chem. Rev., 2009, 253, 2805-2813.
  11. B. Peng, J. Liang, Z. L. Tao, J. Chen, “Magnesium nanostructures for energy storage and conversion,” J. Mater. Chem., 2009, 19, 2877-2883.
  12. B. Peng, J. Chen, “Ammonia borane as an efficient and lightweight hydrogen storage medium,” Energy Environ. Sci., 2008, 1, 479-483.