Jianfeng Lu

Jianfeng Lu
  • Associate Professor of Mathematics
  • Associate Professor of Chemistry (Secondary)
  • Associate Professor of 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

Selected Grants

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 2019

Mathematical Problems for Electronic Structure Models awarded by National Science Foundation (Principal Investigator). 2013 to 2016

Lu, J, and Vanden-Eijnden, E. "Methodological and Computational Aspects of Parallel Tempering Methods in the Infinite Swapping Limit." Journal of Statistical Physics 174.3 (February 15, 2019): 715-733. Full Text Open Access Copy

Li, Y, and Lu, J. "Bold diagrammatic Monte Carlo in the lens of stochastic iterative methods." Transactions of Mathematics and Its Applications 3.1 (February 1, 2019): 1-17. Full Text Open Access Copy

Huang, H, Liu, JG, and Lu, J. "Learning interacting particle systems: Diffusion parameter estimation for aggregation equations." Mathematical Models and Methods in Applied Sciences 29.1 (January 1, 2019): 1-29. Full Text Open Access Copy

Liu, JG, Lu, J, Margetis, D, and Marzuola, JL. "Asymmetry in crystal facet dynamics of homoepitaxy by a continuum model." Physica D: Nonlinear Phenomena (January 1, 2019). Full Text Open Access Copy

Gauckler, L, Lu, J, Marzuola, JL, Rousset, F, and Schratz, K. "Trigonometric integrators for quasilinear wave equations." Mathematics of Computation 88.316 (January 1, 2019): 717-749. Full Text

Delgadillo, R, Lu, J, and Yang, X. "Frozen Gaussian approximation for high frequency wave propagation in periodic media." Asymptotic Analysis 110.3-4 (November 19, 2018): 113-135. Full Text

Chen, H, Lu, J, and Ortner, C. "Thermodynamic Limit of Crystal Defects with Finite Temperature Tight Binding." Archive for Rational Mechanics and Analysis 230.2 (November 1, 2018): 701-733. Full Text Open Access Copy

Cao, Y, and Lu, J. "Stochastic dynamical low-rank approximation method." Journal of Computational Physics 372 (November 1, 2018): 564-586. Full Text

Li, X, Liu, J, Lu, J, and Zhou, X. "Moderate deviation for random elliptic PDE with small noise." Annals of Applied Probability 28.5 (October 1, 2018): 2781-2813. Full Text Open Access Copy

Barthel, T, and Lu, J. "Fundamental Limitations for Measurements in Quantum Many-Body Systems." Physical Review Letters 121.8 (August 24, 2018). Full Text


Yu, V, Huhn, W, Lin, L, Lu, J, Vazquez-Mayagoitia, A, Yang, C, and Blum, V. "ELSI: A unified software interface for Kohn-Sham electronic structure solvers." 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water. March 18, 2018 - March 22, 2018. New Orleans, LA.: AMER CHEMICAL SOC, March 18, 2018.

Xian, Y, Thompson, A, Qiu, Q, Nolte, L, Nowacek, D, Lu, J, Calderbank, R, and IEEE, . "CLASSIFICATION OF WHALE VOCALIZATIONS USING THE WEYL TRANSFORM." 2015.

A key goal of Together Duke is to invest in faculty as scholars and leaders of the university’s intellectual communities. To foster collaboration around new and emerging areas of interest... read more »

Jianfeng Lu Awarded the 2017 IMA Prize in Mathematics and its Applications

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 »

Jianfeng Lu's mathematical studies put numbers to work for researchers in materials science, physics, chemistry and other fields. Photo by Les Todd/Duke University Photography

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 »