# 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

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

Li, L, Liu, J-G, and Lu, J. "Fractional Stochastic Differential Equations Satisfying Fluctuation-Dissipation Theorem." *Journal of Statistical Physics* 169.2 (October 2017): 316-339.
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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* (September 2017).
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Lu, J, and Thicke, K. "Cubic scaling algorithms for RPA correlation using interpolative separable density fitting." *Journal of Computational Physics* (September 2017).
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Lu, J, and Steinerberger, S. "A variation on the Donsker-Varadhan inequality for the principal eigenvalue." *Proceedings. Mathematical, physical, and engineering sciences* 473.2204 (August 23, 2017): 20160877-.
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Lu, J, and Yang, H. "A cubic scaling algorithm for excited states calculations in particle–particle random phase approximation." *Journal of Computational Physics* 340 (July 2017): 297-308.
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Gao, Y, Liu, J-G, and Lu, J. "Continuum Limit of a Mesoscopic Model with Elasticity of Step Motion on Vicinal Surfaces." *Journal of Nonlinear Science* 27.3 (June 2017): 873-926.
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Li, C, Lu, J, and Yang, W. "On extending Kohn-Sham density functionals to systems with fractional number of electrons." *The Journal of chemical physics* 146.21 (June 2017): 214109-.
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Lu, J, and Thicke, K. "Orbital minimization method with ℓ 1 regularization." *Journal of Computational Physics* 336 (May 2017): 87-103.
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Lu, J, and Zhou, Z. "Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems." *The Journal of chemical physics* 146.15 (April 2017): 154110-.
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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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