- Associate Professor of Mathematics
- Associate Professor of Chemistry (Secondary)
- Associate Professor of Physics (Secondary)
Research Areas and Keywords
PDE & Dynamical Systems
Signals, Images & Data
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.
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
Niu, X, Luo, T, Lu, J, and Xiang, Y. "Dislocation climb models from atomistic scheme to dislocation dynamics." Journal of the Mechanics and Physics of Solids 99 (February 2017): 242-258. Full Text
Lu, J, and Thicke, K. "Orbital minimization method with ℓ1 regularization." Journal of Computational Physics (February 2017). Full Text
Li, Q, Lu, J, and Sun, W. "Validity and Regularization of Classical Half-Space Equations." Journal of Statistical Physics 166.2 (January 2017): 398-433. Full Text
Mendl, CB, Lu, J, and Lukkarinen, J. "Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory." Physical review. E 94.6-1 (December 2, 2016): 062104-. Full Text
Yu, T-Q, Lu, J, Abrams, CF, and Vanden-Eijnden, E. "Multiscale implementation of infinite-swap replica exchange molecular dynamics." Proceedings of the National Academy of Sciences of the United States of America 113.42 (October 3, 2016): 11744-11749.
Lu, J, and Zhou, Z. "Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics." The Journal of chemical physics 145.12 (September 2016): 124109-.
Li, X, and Lu, J. "Traction boundary conditions for molecular static simulations." Computer Methods in Applied Mechanics and Engineering 308 (August 2016): 310-329. Full Text
Lin, L, and Lu, J. "Decay estimates of discretized Green’s functions for Schrödinger type operators." Science China Mathematics 59.8 (August 2016): 1561-1578. Full Text
Lai, R, and Lu, J. "Localized density matrix minimization and linear-scaling algorithms." Journal of Computational Physics 315 (June 2016): 194-210. Full Text
Lu, J, and Ying, L. "Sparsifying preconditioner for soliton calculations." Journal of Computational Physics 315 (June 2016): 458-466. Full Text
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 »