# Jianfeng Lu

## Associate Professor of Mathematics

###### Links

### Overview

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.

### Selected Grants

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

FET: Small: Efficient Inference Tools for Quantum Systems: Algorithms, Applications, and Analysis 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

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

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.
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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.
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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.
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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.
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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

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.
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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.
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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

Li, Yingzhou, and Jianfeng Lu. “Bold diagrammatic Monte Carlo in the lens of stochastic iterative methods.” *Transactions of Mathematics and Its Applications*, vol. 3, no. 1, Oxford University Press (OUP), Feb. 2019. *Crossref*, doi:10.1093/imatrm/tnz001.
Full Text Open Access Copy

Martinsson, A., et al. “The simulated tempering method in the infinite switch limit with adaptive weight learning.” *Journal of Statistical Mechanics: Theory and Experiment*, vol. 2019, no. 1, Jan. 2019. *Scopus*, doi:10.1088/1742-5468/aaf323.
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## Pages

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.