- Associate Professor of Mathematics
- Associate Professor of Physics (Secondary)
- Associate Professor of Chemistry (Secondary)
Research Areas and Keywords
electronic structure models, calculus of variations, semiclassical analysis
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
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
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.
FET: Small: Efficient Inference Tools for Quantum Systems: Algorithms, Applications, and Analysis awarded by National Science Foundation (Co-Principal Investigator). 2019 to 2022
HDR TRIPODS: Innovations in Data Science: Integrating Stochastic Modeling, Data Representation, and Algorithms awarded by National Science Foundation (Co-Principal Investigator). 2019 to 2022
Quantum Computing in Chemical and Material Sciences awarded by Department of Energy (Co-Principal Investigator). 2018 to 2021
CAREER: Research and training in advanced computational methods for quantum and statistical mechanics awarded by National Science Foundation (Principal Investigator). 2015 to 2020
Collaborative Research: SI2-SSI: ELSI-Infrastructure for Scalable Electronic Structure Theory awarded by National Science Foundation (Co-Principal Investigator). 2015 to 2020
Mathematical Problems for Electronic Structure Models awarded by National Science Foundation (Principal Investigator). 2013 to 2016
Chen, H., et al. “A numerical method for coupling the BGK model and Euler equations through the linearized Knudsen layer.” Journal of Computational Physics, vol. 398, Dec. 2019. Scopus, doi:10.1016/j.jcp.2019.108893. Full Text
Lu, J., et al. “Approximating pointwise products of Laplacian eigenfunctions.” Journal of Functional Analysis, vol. 277, no. 9, Nov. 2019, pp. 3271–82. Scopus, doi:10.1016/j.jfa.2019.05.025. Full Text
Cao, Y., et al. “Exponential Decay of Rényi Divergence Under Fokker–Planck Equations.” Journal of Statistical Physics, vol. 176, no. 5, Sept. 2019, pp. 1172–84. Scopus, doi:10.1007/s10955-019-02339-8. Full Text
Liu, J. G., et al. “Asymmetry in crystal facet dynamics of homoepitaxy by a continuum model.” Physica D: Nonlinear Phenomena, vol. 393, June 2019, pp. 54–67. Scopus, doi:10.1016/j.physd.2019.01.004. Full Text Open Access Copy
Wang, Zhe, et al. “Coordinate Descent Full Configuration Interaction..” Journal of Chemical Theory and Computation, vol. 15, no. 6, June 2019, pp. 3558–69. Epmc, doi:10.1021/acs.jctc.9b00138. Full Text
Cao, Y., et al. “Gradient flow structure and exponential decay of the sandwiched Rényi divergence for primitive Lindblad equations with GNS-detailed balance.” Journal of Mathematical Physics, vol. 60, no. 5, May 2019. Scopus, doi:10.1063/1.5083065. Full Text
Lin, L., et al. “Numerical methods for Kohn-Sham density functional theory.” Acta Numerica, vol. 28, May 2019, pp. 405–539. Scopus, doi:10.1017/S0962492919000047. Full Text
Khoo, Yuehaw, et al. “Solving for high-dimensional committor functions using artificial neural networks.” Research in the Mathematical Sciences, vol. 6, no. 1, Springer Science and Business Media LLC, Mar. 2019. Crossref, doi:10.1007/s40687-018-0160-2. Full Text
Lu, J., and E. Vanden-Eijnden. “Methodological and Computational Aspects of Parallel Tempering Methods in the Infinite Swapping Limit.” Journal of Statistical Physics, vol. 174, no. 3, Feb. 2019, pp. 715–33. Scopus, doi:10.1007/s10955-018-2210-y. Full Text Open Access Copy
Yu, Victor, et al. “Large-scale benchmark of electronic structure solvers with the ELSI infrastructure.” Abstracts of Papers of the American Chemical Society, vol. 257, AMER CHEMICAL SOC, 2019.
Yu, Victor, et al. “ELSI: A unified software interface for Kohn-Sham electronic structure solvers.” Abstracts of Papers of the American Chemical Society, vol. 255, AMER CHEMICAL SOC, 2018.
Xian, Yin, et al. “CLASSIFICATION OF WHALE VOCALIZATIONS USING THE WEYL TRANSFORM.” 2015 Ieee International Conference on Acoustics, Speech, and Signal Processing (Icassp), 2015, pp. 773–77.
The 2017 IMA Prize in Mathematics and its Applications has been awarded to Jianfeng Lu, an associate professor in the Department of Mathematics at Duke University, with secondary appointments in the Departments of Chemistry and Physics. Lu received... read more »
New faculty member applies math to solve some of the hardest questions in science Durham, NC - As a mathematician, Jianfeng Lu appreciates the abstract beauty of theories and proofs. But he also sees his craft as a powerful, pragmatic tool for... read more »