Faculty Profiles

Jianfeng Lu
Associate Professor of Chemistry
242 Physics Bldg, 120 Science Drive, Durham, NC 27708
(919) 660-2875
(919) 660-2821



Ph.D., Princeton University 2009

Yu, V. W. Z., et al. “ELSI — An open infrastructure for electronic structure solvers.” Computer Physics Communications, vol. 256, Nov. 2020. Scopus, doi:10.1016/j.cpc.2020.107459. Full Text

Li, W., et al. “Fisher information regularization schemes for Wasserstein gradient flows.” Journal of Computational Physics, vol. 416, Sept. 2020. Scopus, doi:10.1016/j.jcp.2020.109449. Full Text

Li, Yingzhou, and Jianfeng Lu. “Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget.Journal of Chemical Theory and Computation, Aug. 2020. Epmc, doi:10.1021/acs.jctc.0c00613. Full Text

Gao, Y., et al. “Analysis of a continuum theory for broken bond crystal surface models with evaporation and deposition effects.” Nonlinearity, vol. 33, no. 8, Aug. 2020, pp. 3816–45. Scopus, doi:10.1088/1361-6544/ab853d. Full Text

Ge, R., et al. “Estimating normalizing constants for log-concave distributions: Algorithms and lower bounds.” Proceedings of the Annual Acm Symposium on Theory of Computing, June 2020, pp. 579–86. Scopus, doi:10.1145/3357713.3384289. Full Text

Nishimura, A., et al. “Discontinuous Hamiltonian Monte Carlo for discrete parameters and discontinuous likelihoods.” Biometrika, vol. 107, no. 2, June 2020, pp. 365–80. Scopus, doi:10.1093/biomet/asz083. Full Text

Li, Y., et al. “Variational training of neural network approximations of solution maps for physical models.” Journal of Computational Physics, vol. 409, May 2020. Scopus, doi:10.1016/j.jcp.2020.109338. Full Text

Lu, J., et al. “Quadrature Points via Heat Kernel Repulsion.” Constructive Approximation, vol. 51, no. 1, Feb. 2020, pp. 27–48. Scopus, doi:10.1007/s00365-019-09471-4. Full Text

Lu, J., et al. “Dirac operators and domain walls.” Siam Journal on Mathematical Analysis, vol. 52, no. 2, Jan. 2020, pp. 1115–45. Scopus, doi:10.1137/19M127416X. Full Text

Lu, J., and S. Steinerberger. “A dimension-free hermite-hadamard inequality via gradient estimates for the torsion function.” Proceedings of the American Mathematical Society, vol. 148, no. 2, Jan. 2020, pp. 673–79. Scopus, doi:10.1090/proc/14843. Full Text


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.

Xian, Y., et al. “Classification of whale vocalizations using the Weyl transform.” Icassp, Ieee International Conference on Acoustics, Speech and Signal Processing  Proceedings, vol. 2015-August, 2015, pp. 773–77. Scopus, doi:10.1109/ICASSP.2015.7178074. Full Text

Yang, X., and J. Lu. “Seismic modeling using the frozen Gaussian approximation.” Society of Exploration Geophysicists International Exposition and 83rd Annual Meeting, Seg 2013: Expanding Geophysical Frontiers, 2013, pp. 4677–82. Scopus, doi:10.1190/segam2013-1225.1. Full Text