Dr. Feng Wu

Dr. Feng Wu

Group Alumni
Scientist, Quantum Computer Group, Alibaba Inc.
Postdoc, University of California - Santa Cruz


Doctor of Philosophy (Physical Chemistry), College of Chemistry and Molecular Engineering, Peking University
Joint Ph.D., Centre de Physique Théorique, Ecole Polytechnique
Bachelor of Science (Chemistry), Peking University

Research Interests

  • Electronic structure
  • GW method
  • Optical properties


Feng Wu and Yuan Ping, “Combining Landau-Zener Theory and Kinetic Monte Carlo Sampling for Small Polaron Mobility of Doped BiVO4 from First-principles”, submitted, (2018) arXiv:1808.02507

Tyler Smart†, Feng Wu†, Marco Govoni and Yuan Ping, “Fundamental Principles for Calculating Charged Defect Ionization Energies in Ultrathin Two-Dimensional Materials”,  submitted (2018)  https://arxiv.org/abs/1808.03221

Tyler Smart, Allison Cardiel, Feng Wu, Kyoung-Shin Choi and Yuan Ping, “Mechanistic Insights of Enhanced Spin Polaron Conduction in CuO through Atomic Doping”, npj Computational Materials, 4, 61 (2018)

Feng Wu, Andrew Galatas, Ravishankar Sundararaman, Dario Rocca and Yuan Ping, “First-Principles Engineering of Charged Defects for Two-Dimensional Quantum Technologies”, Phys. Rev. Mater., 1, 071001(R) (2017).

Feng Wu, Huihui Wang, Yu-Chen Shen, and Hong Jiang, “Electronic properties of ionic surfaces: A systematic theoretical investigation of alkali halides”, J.Chem. Phys. 146, 014703 (2017).

Zhi-Hao Cui, Feng Wu, and Hong Jiang, “First-principles study of relative stability of rutile and anatase TiO2 using the random phase approximation”, Phys. Chem. Chem. Phys. 18, 29914-29922 (2016).

Zhao-Bin Ding, Feng Wu, Yue-Chao Wang, and Hong Jiang, “Theoretical studies of the work functions of Pd-based bimetallic surfaces”, J. Chem. Phys. 142, 214706 (2015).

Zhijian Wang, Zhiyong Ma, Zhenyu Zhang, Feng Wu, Hong Jiang, and Xinru Jia, “Mechanical activation of a dithioester derivative-based retro RAFT-HDA reaction”, en, Polym. Chem. 5, 6893-6897 (2014).

Wei An, Feng Wu, Hong Jiang, Guang-Shan Tian, and Xin-Zheng Li, “Systematic investigation on topological properties of layered GaS and GaSe under strain”, J. Chem. Phys. 141, 084701 (2014)

Huihui Wang, Feng Wu, and Hong Jiang, “Electronic Band Structures of ATaO3 (A = Li, Na, and K) from First-Principles Many-Body Perturbation Theory”, J. Phys. Chem. C 115, 16180-16186 (2011).

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