Home > Research Areas > Youqi Ke

Youqi Ke

Assistant Professor


Aug.2014 -now Assistent Professor
School of Physical Science and Technology,
ShanghaiTech University
Oct.2010 - Aug.2014 Postdoc. Department of Mechanical and Aerospace Eng.,
Princeton University
Sept.2005 - Sept.2010 Ph. D. Department of Physics,
McGill University
Sept.2003 - Sept.2005 M. Sc. Institute of Atomic and Molecular Physics,
Jilin University
Sept.1999 - Sept.2003 B.Sc. Department of Physics,
Jilin University
  Research Interest  
Our group focuses on the development of first principles approaches and their applications in the simulation of large-scale materials and nano-electronic devices that couples fundamental physics and nano-device and material engineering. The first part of our research is to develop a nano-electronic device calculator that combines quantum transport theory, non-equilibrium Green’s function technique, many-body perturbation method and density functional theory, aiming to address the material/device challenges for information processing/storage and energy conversion/storage. The second part of our research is to advance orbital free density functional theory for large scale material science simulations and applying this method to model the mechanical properties (including dislocations, grain boundary, cracking, melting, …) of metals in bulk- and nano-structures from first principles.

1. Y. Ke, F. Libisch, J. Xia, and E. A. Carter, “Angular momentum Dependent Orbital Free Density Functional Theory: Formulation and implementation”, Phys. Rev. B 89 155112 (2014)

2. Y. Ke, F. Libisch, J. Xia, L.-W. Wang and E. A. Carter, “Angular momentum Dependent Orbital Free Density Functional Theory”, Physical Review Letters 111, 066402 (2013).

3. Z. Wang, Y. Ke, D. Liu, H. Guo and K. H. Bevan, “Low bias short channel impurity mobility in graphene from first principles”, Appl. Phys. Letts. 101, 093102 (2012).

4. M. Cesar, Y.Ke, W. Ji, H. Guo and Z. Mi, “band gap of Ga_xIn_1-x N: a first principles analysis”, Appl. Phys. Lett. 98, 202107 (2011).

5. Y.Ke, K. Xia, H. Guo, “ Oxygen Vacancy induced diffusive scattering in Fe/MgO/Fe Magnetic Tunneling Junction”, Physical Review Letters, 105, 236801 (2010).

6. Y. Ke, K.Xia, H. Guo, “Disorder Scattering in Magnetic Tunnel Junctions: Theory of Non-Equilibrium Vertex Correction”, Physical Review Letters 100, 166805 (2008).