# 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

##### Analysis

##### Computational Mathematics

##### Mathematical Physics

##### PDE & Dynamical Systems

##### Physical Modeling

##### Probability

##### 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.
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Lu, J, and Thicke, K. "Orbital minimization method with ℓ1 regularization." *Journal of Computational Physics* (February 2017).
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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.
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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-.
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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.
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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.
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Lai, R, and Lu, J. "Localized density matrix minimization and linear-scaling algorithms." *Journal of Computational Physics* 315 (June 2016): 194-210.
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Lu, J, and Ying, L. "Sparsifying preconditioner for soliton calculations." *Journal of Computational Physics* 315 (June 2016): 458-466.
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## Pages

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 »