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

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

Li, Q., et al. “Half-space kinetic equations with general boundary conditions.” Mathematics of Computation, vol. 86, no. 305, Jan. 2017, pp. 1269–301. Scopus, doi:10.1090/mcom/3155. Full Text Open Access Copy

Cornelis, Bruno, et al. “Removal of Canvas Patterns in Digital Acquisitions of Paintings.Ieee Transactions on Image Processing : A Publication of the Ieee Signal Processing Society, vol. 26, no. 1, Jan. 2017, pp. 160–71. Epmc, doi:10.1109/tip.2016.2621413. Full Text Open Access Copy

Mendl, Christian B., et al. “Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory.Physical Review. E, vol. 94, no. 6–1, Dec. 2016, p. 062104. Epmc, doi:10.1103/physreve.94.062104. Full Text Open Access Copy

Yu, Tang-Qing, et al. “Multiscale implementation of infinite-swap replica exchange molecular dynamics.Proceedings of the National Academy of Sciences of the United States of America, vol. 113, no. 42, Oct. 2016, pp. 11744–49. Epmc, doi:10.1073/pnas.1605089113. Full Text

Lu, Jianfeng, and Zhennan Zhou. “Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics.The Journal of Chemical Physics, vol. 145, no. 12, Sept. 2016, p. 124109. Epmc, doi:10.1063/1.4963107. Full Text Open Access Copy

Li, X., and J. Lu. “Traction boundary conditions for molecular static simulations.” Computer Methods in Applied Mechanics and Engineering, vol. 308, Aug. 2016, pp. 310–29. Scopus, doi:10.1016/j.cma.2016.05.002. Full Text Open Access Copy

Lin, L., and J. Lu. “Decay estimates of discretized Green’s functions for Schrödinger type operators.” Science China Mathematics, vol. 59, no. 8, Aug. 2016, pp. 1561–78. Scopus, doi:10.1007/s11425-016-0311-4. Full Text Open Access Copy

Lai, R., and J. Lu. “Localized density matrix minimization and linear-scaling algorithms.” Journal of Computational Physics, vol. 315, June 2016, pp. 194–210. Scopus, doi:10.1016/j.jcp.2016.02.076. Full Text Open Access Copy