Jianfeng Lu, Professor
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.
- Contact Info:
Teaching (Fall 2022):
Teaching (Spring 2023):
- MATH 631.01, MEASURE AND INTEGRATION
- Gross Hall 324, WF 10:15 AM-11:30 AM
- MATH 660.01, NUMERICAL PARTIAL DIFF EQNS
- Gross Hall 324, TuTh 01:45 PM-03:00 PM
- Office Hours:
- By email appointments
- Research Interests:
Mathematical analysis and algorithm development for problems from
computational physics, theoretical chemistry, materials science and others.
Electronic structure and many body problems;
Multiscale modeling and analysis; and
Rare events and sampling techniques.
- Areas of Interest:
- Applied Mathematics
Partial Differential Equations
- Curriculum Vitae
- Current Ph.D. Students
- Postdocs Mentored
- Haizhao Yang (July, 2015 - present)
- Zhennan Zhou (August, 2014 - present)
- Undergraduate Research Supervised
- Jeremy Tay (September, 2015 - December, 2015)
- Fuchsia Chen (January, 2015 - September, 2015)
- Leslie Lei (May, 2013 - May, 2014)
- Recent Publications
- Holst, M; Hu, H; Lu, J; Marzuola, JL; Song, D; Weare, J, Symmetry Breaking and the Generation of Spin Ordered Magnetic States in Density Functional Theory Due to Dirac Exchange for a Hydrogen Molecule,
Journal of Nonlinear Science, vol. 32 no. 6
(December, 2022) [doi] [abs]
- Craig, K; Liu, JG; Lu, J; Marzuola, JL; Wang, L, A proximal-gradient algorithm for crystal surface evolution,
Numerische Mathematik, vol. 152 no. 3
pp. 631-662 [doi] [abs]
- Cai, Z; Lu, J; Yang, S, Fast algorithms of bath calculations in simulations of quantum system-bath dynamics,
Computer Physics Communications, vol. 278
(September, 2022) [doi] [abs]
- Bierman, J; Li, Y; Lu, J, Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer.,
Journal of Chemical Theory and Computation, vol. 18 no. 8
pp. 4674-4689 [doi] [abs]
- Lu, J; Steinerberger, S, Neural collapse under cross-entropy loss,
Applied and Computational Harmonic Analysis, vol. 59
pp. 224-241 [doi] [abs]
- Recent Grant Support
- RTG: Training Tomorrow's Workforce in Analysis and Applications, National Science Foundation, 2021/07-2026/06.
- NRT-HDR: Harnessing AI for Autonomous Material Design, National Science Foundation, 2020/09-2025/08.
- EAGER-QAC-QSA: Resource Reduction in Quantum Computational Chemistry Mapping by Optimizing Orbital Basis Sets, National Science Foundation, 2020/09-2023/08.
- Innovation of Numerical Methods for High-Dimensional Problems, National Science Foundation, 2020/07-2023/06.
- FET: Small: Efficient Inference Tools for Quantum Systems: Algorithms, Applications, and Analysis, National Science Foundation, 2019/10-2022/09.
- HDR TRIPODS: Innovations in Data Science: Integrating Stochastic Modeling, Data Representation, and Algorithms, National Science Foundation, 2019/10-2022/09.
- Quantum Computing in Chemical and Material Sciences, Department of Energy, 2018/09-2022/09.
- Collaborative Research: SI2-SSI: ELSI-Infrastructure for Scalable Electronic Structure Theory, National Science Foundation, 1450280, 2015/06-2022/05.
- Quantum Computing in Chemical and Material Sciences, Department of Energy, 2018/09-2021/09.
- CAREER: Research and training in advanced computational methods for quantum and statistical mechanics, National Science Foundation, DMS-1454939, 2015/09-2020/08.