People

Bo
Peng
Alumni, Graduate Student
Currently: Research Associate, Karol Kowalski, PNNL

Bo Peng portrait
[email protected]


Education


Awards

  • 2016
    Linus Pauling Distinguished Postdoctoral Fellowship Pacific Northwest National Lab
  • 2015
    Graduate Student Merit Fellowship UW Department of Chemistry
  • 2015
    Chemical Computing Group Research Excellence Award American Chemical Society


Publications

  1. A Perspective on Sustainable Computational Chemistry Software Development and Integration
    Rosa Di Felice, Maricris L. Mayes, Ryan M. Richard, David B. Williams-Young, Garnet Kin-Lic Chan, Wibe A. de Jong, Niranjan Govind, Martin Head-Gordon, Matthew R. Hermes, Karol Kowalski, Xiaosong Li, Hans Lischka, Karl T. Mueller, Erdal Mutlu, Anders M. N. Niklasson, Mark R. Pederson, Bo Peng, Ron Shepard, Edward F. Valeev, Mark van Schilfgaarde, Bess Vlaisavljevich, Theresa L. Windus, Sotiris S. Xantheas, Xing Zhang, and Paul M. Zimmerman
    Journal of Chemical Theory and Computation2023, 19,20, 7056-7076
  2. Mixed Cation FAxPEA1–xPbI3 with Enhanced Phase and Ambient Stability toward High-Performance Perovskite Solar Cells
    N. Li, Z. Zhu, C.-C. Chueh, H. Liu, B. Peng, A. Petrone, X. Li, L. Wang, A. K.-Y. Jen
    Adv. Energy Mater.2016, 1601307
  3. Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy
    B. Peng, P. J. Lestrange, J. J. Goings, M. Caricato, X. Li
    J. Chem. Theory Comput.2015, 11, 4146
  4. Real-Time TDDFT Studies of Exciton Decay and Transfer in Silver Nanowire Arrays
    B. Peng, D. B. Lingerfelt, F. Ding, C. Aikens, X. Li
    J. Phys. Chem. C2015, 119, 6421
  5. Density of States Guided Møller-Plesset Perturbation Theory
    P. J. Lestrange, B. Peng, F. Ding, G. W. Trucks, M. J. Frisch, X. Li
    J. Chem. Theory Comput.2014, 10, 1910
  6. Effects of Crystallographic and Shape Anisotropies on Dopant-Carrier Exchange Interactions in Magnetic Semiconductor Quantum Dots
    B. Peng, J. W. May, D. R. Gamelin, X. Li
    J. Phys. Chem. C2014, 118, 7630
  7. A Guided Self-Consistent-Field Method for Excited State Wave Function Optimization: Applications to Ligand Field Transitions in Transition Metal Complexes
    B. Peng, B. E. Van Kuiken, F. Ding, X. Li
    J. Chem. Theory Comput.2013, 9, 3933
  8. Theoretical Evaluation of Spin-Dependent Auger De-Excitation in Mn2+-Doped Semiconductor Nanocrystals
    B. Peng, W. Liang, M. A. White, D. R. Gamelin, X. Li
    J. Phys. Chem. C2012, 116, 11223