Jianfeng Lu

Jianfeng Lu
  • Professor of Mathematics
  • Associate Professor of Chemistry (Secondary)
  • Associate Professor in Physics (Secondary)
External address: 242 Physics Bldg, 120 Science Drive, Durham, NC 27708
Internal office address: Mathematics Department, Duke University, Box 90320, Durham, NC 27708
Phone: (919) 660-2875

Research Areas and Keywords


electronic structure models, calculus of variations, semiclassical analysis

Computational Mathematics

electronic structure models, multiscale modeling and simulations, numerical analysis, rare events simulation, computational physics, time-frequency analysis, fast algorithms, stochastic numerical methods, kinetic equations, nonlinear Schrodinger equations, quantum chemistry, computational statistical mechanics, optimization, high frequency wave propagation

Mathematical Physics

electronic structure models, quantum chemistry, kinetic theory, quantum information

PDE & Dynamical Systems

multiscale modeling and simulations, numerical analysis, calculus of variations, kinetic equations, Schroedinger equations

Physical Modeling

electronic structure models, multiscale modeling and simulations, rare events simulation, computational physics, kinetic equations, nonlinear Schroedinger equations, quantum chemistry, computational statistical mechanics


rare events simulation, computational statistical mechanics, stochastic numerical methods

Signals, Images & Data

time-frequency analysis, fast algorithms, optimization, applied harmonic analysis

Jianfeng Lu is an applied mathematician interested in mathematical analysis and algorithm development for problems from computational physics, theoretical chemistry, materials science and other related fields.

More specifically, his current research focuses include:
Electronic structure and many body problems; quantum molecular dynamics; multiscale modeling and analysis; rare events and sampling techniques.

Education & Training
  • Ph.D., Princeton University 2009

Li, Chen, et al. “On extending Kohn-Sham density functionals to systems with fractional number of electrons.The Journal of Chemical Physics, vol. 146, no. 21, June 2017, p. 214109. Epmc, doi:10.1063/1.4982951. Full Text

Lu, J., and K. Thicke. “Orbital minimization method with ℓ1 regularization.” Journal of Computational Physics, vol. 336, May 2017, pp. 87–103. Scopus, doi:10.1016/j.jcp.2017.02.005. Full Text Open Access Copy

Lu, Jianfeng, and Zhennan Zhou. “Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems.The Journal of Chemical Physics, vol. 146, no. 15, Apr. 2017, p. 154110. Epmc, doi:10.1063/1.4981021. Full Text Open Access Copy

Niu, X., et al. “Dislocation climb models from atomistic scheme to dislocation dynamics.” Journal of the Mechanics and Physics of Solids, vol. 99, Feb. 2017, pp. 242–58. Scopus, doi:10.1016/j.jmps.2016.11.012. Full Text Open Access Copy

Watson, A. B., et al. “Wavepackets in inhomogeneous periodic media: Effective particle-field dynamics and Berry curvature.” Journal of Mathematical Physics, vol. 58, no. 2, Feb. 2017. Scopus, doi:10.1063/1.4976200. Full Text Open Access Copy

Li, X. H., and J. Lu. “Quasi-nonlocal coupling of nonlocal diffusions.” Siam Journal on Numerical Analysis, vol. 55, no. 5, Jan. 2017, pp. 2394–415. Scopus, doi:10.1137/16M1086443. Full Text Open Access Copy

Gao, Y., et al. “Weak solution of a continuum model for vicinal surface in the attachment-detachment-limited regime.” Siam Journal on Mathematical Analysis, vol. 49, no. 3, Jan. 2017, pp. 1705–31. Scopus, doi:10.1137/16M1094543. Full Text Open Access Copy

Li, Q., and J. Lu. “An asymptotic preserving method for transport equations with oscillatory scattering coefficients.” Multiscale Modeling and Simulation, vol. 15, no. 4, Jan. 2017, pp. 1694–718. Scopus, doi:10.1137/16M109212X. Full Text Open Access Copy