Jianfeng Lu

Jianfeng Lu

Associate Professor of Mathematics

Office Location: 
242 Physics Bldg, 120 Science Drive, Durham, NC 27708
Front Office Address: 
Mathematics Department, Duke University, Box 90320, Durham, NC 27708
(919) 660-2875


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

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

Cao, Y, and Lu, J. "Stochastic dynamical low-rank approximation method(Accepted)." 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(Accepted)." Annals of Applied Probability 28.5 (October 1, 2018): 2781-2813. Full Text Open Access Copy

Huang, Y, Lu, J, and Ming, P. "A Concurrent Global–Local Numerical Method for Multiscale PDEs." Journal of Scientific Computing 76.2 (August 2018): 1188-1215. Full Text

You, Z, Li, L, Lu, J, and Ge, H. "Integrated tempering enhanced sampling method as the infinite switching limit of simulated tempering." The Journal of Chemical Physics 149.8 (August 2018): 084114-null. Full Text

Lu, J, and Zhou, Z. "Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping." The Journal of Chemical Physics 148.6 (February 2018): 064110-null. Full Text Open Access Copy

Dai, S, Li, B, and Lu, J. "Convergence of Phase-Field Free Energy and Boundary Force for Molecular Solvation." Archive for Rational Mechanics and Analysis 227.1 (January 2018): 105-147. Full Text Open Access Copy

Du, Q, Li, XH, Lu, J, and Tian, X. "A Quasi-nonlocal Coupling Method for Nonlocal and Local Diffusion Models." Siam Journal on Numerical Analysis 56.3 (January 2018): 1386-1404. Full Text Open Access Copy

Yu, VW-Z, Corsetti, F, García, A, Huhn, WP, Jacquelin, M, Jia, W, Lange, B, Lin, L, Lu, J, Mi, W, Seifitokaldani, A, Vázquez-Mayagoitia, Á, Yang, C, Yang, H, and Blum, V. "ELSI: A unified software interface for Kohn–Sham electronic structure solvers." Computer Physics Communications 222 (January 2018): 267-285. Full Text Open Access Copy

Cai, Z, and Lu, J. "A Quantum Kinetic Monte Carlo Method for Quantum Many-Body Spin Dynamics." Siam Journal on Scientific Computing 40.3 (January 2018): B706-B722. Full Text Open Access Copy

Zhu, W, Qiu, Q, Wang, B, Lu, J, Sapiro, G, and Daubechies, I. "Stop memorizing: A data-dependent regularization framework for intrinsic pattern learning." Corr abs/1805.07291 (2018). Open Access Copy


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.

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.