Dr. Chen Huang

Theoretical Division, Los Alamos National Laboratory, NM, USA.

Postdoctoral Research Associate


2011 Ph.D., Department of Physics, Princeton University, NJ, USA

2003 B.Sc. with honors, Tsinghua University, Beijing, P.R. China


  1. C. Huang, A. F. Voter, D. Perez, “Scalable kernel polynomial method for calculating transition rates” Physical Review B, 87, 214106 (2013) (Editor suggestion)
  2. M. Chen, L. Hung, C. Huang, J. Xia, and E. A. Carter, “The Melting Point of Lithium: An Orbital-Free First-Principles Molecular Dynamics Study,” Molecular Physics, in press (2013).
  3. F. Libisch, C. Huang, P. Liao, M. Pavone, and E. A. Carter, "Origin of the barrier to reactions of O2 on Al(111): charge transfer not spin selection", Physical Review Letters, 109, 198303 (2012)
  4. J. Xia, C. Huang, I. Shin, and E. A. Carter, "Can orbital-free density functional theory simulate molecules?", The Journal of Chemical Physics, 136, 084102 (2012). Top 20 most read articles in February 2012.
  5. C. Huang and E. A. Carter, “Toward an orbital-free density functional theory of transition metals based on an electron density decomposition", Physical Review B, 85, 045126 (2012).
  6. L. Hung, C. Huang, and E. A. Carter “Preconditioners and electron density optimization in orbital-free density functional theory”, Communications in Computational Physics, 12, 135 (2012).
  7. C. Huang and E. A. Carter, “Potential-functional embedding theory for molecules and materials", The Journal of Chemical Physics, 135, 194104 (2011). Top 20 most read articles in November 2011. Editors' choice for the year of 2011.
  8. C. Huang and E. A. Carter, “Direct minimization of the optimized effective problem based on efficient finite differences”, Physical Review B, 84, 165122 (2011).
  9. C. Huang, M. Pavone, and E. A. Carter, “Quantum mechanical embedding theory with unique embedding potential”, The Journal of Chemical Physics, 134, 154110 (2011).
  10. L. Hung, C. Huang, I. Shin, G. S. Ho, V. L. Lignères, and E. A. Carter, “Introducing PROFESS 2.0: a parallelized, fully linear scaling program for orbital-free density functional theory calculations”, Computer Physics Communications, 181, 2208 (2010).
  11. Q. Peng, X. Zhang, C. Huang, E. A. Carter and G. Lu, “Quantum mechanical study of solid solution effects on dislocation nucleation during nanoindentation”, Modelling and Simulation in Materials Science and Engineering, 18, 075003 (2010).
  12. C. Huang and E. A. Carter, “Nonlocal kinetic energy density functional for semiconductors”, Physical Review B, 81, 045206 (2010). Editor’s suggestion.
  13. I. Shin, A. Ramasubramaniam, C. Huang, L. Hung, and E. A. Carter, “Orbital-Free density functional theory simulations of dislocations in aluminum”, Philosophical Magazine, 83, 3195 (2009).
  14. C. Huang and E. A. Carter, “Transferable local pseudopotentials for magnesium, aluminum and silicon”, Physical Chemistry Chemical Physics, 10, 7109 (2008).
  15. G. Ho, C. Huang, and E. A. Carter, “Describing metal surfaces and nanostructures with orbital-free density functional theory”, Current Opinion in Solid State & Materials Science, 11, 57 (2008).
  16. H.Y. Wang, C. Huang, M.C. Qian, and E.G. Wang, “Magnetic behaviors of antiferromagnetic films under external field”, Journal of Applied Physics, 95, 11 (2004).
  17. C. Huang, H.Y. Wang, and E.G. Wang, “Magnetic behavior of antiferromagnetic monolayer under an external field”, Chinese Physics Letters, 20, 9 (2003).