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

Han, J., et al. “Solving high-dimensional eigenvalue problems using deep neural networks: A diffusion Monte Carlo like approach.” Journal of Computational Physics, vol. 423, Dec. 2020. Scopus, doi:10.1016/j.jcp.2020.109792. Full Text Open Access Copy

Lu, J., et al. “Continuum limit and preconditioned Langevin sampling of the path integral molecular dynamics.” Journal of Computational Physics, vol. 423, Dec. 2020. Scopus, doi:10.1016/j.jcp.2020.109788. Full Text

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

Cai, Z., et al. “Inchworm Monte Carlo Method for Open Quantum Systems.” Communications on Pure and Applied Mathematics, vol. 73, no. 11, Nov. 2020, pp. 2430–72. Scopus, doi:10.1002/cpa.21888. Full Text

Lu, J., and S. Steinerberger. “Synchronization of Kuramoto oscillators in dense networks.” Nonlinearity, vol. 33, no. 11, Nov. 2020, pp. 5905–18. Scopus, doi:10.1088/1361-6544/ab9baa. 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, vol. 16, no. 10, Oct. 2020, pp. 6207–21. Epmc, doi:10.1021/acs.jctc.0c00613. 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

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


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