Jianfeng Lu, Associate Professor of Mathematics and Chemistry and Physics

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:

Office Location:	242 Physics Bldg, 120 Science Drive, Durham, NC 27708
Office Phone:	(919) 660-2875
Email Address:
Web Page:	http://www.math.duke.edu/~jianfeng/

Office Hours:

By email appointments

Education:

Ph.D.	Princeton University	2009
BS	Peking University	2005

Specialties:

Applied Math

Research Interests:

Mathematical analysis and algorithm development for problems from
computational physics, theoretical chemistry, materials science and others.

More specifically:
Electronic structure and many body problems;
Multiscale modeling and analysis; and
Rare events and sampling techniques.

Areas of Interest:

Applied Mathematics
Partial Differential Equations
Probability
Numerical Analysis
Scientific Computing

Curriculum Vitae

Current Ph.D. Students  

• Kyle Thicke  
• Chao Xu  

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   (More Publications)

1. Wang, Z; Li, Y; Lu, J, Coordinate Descent Full Configuration Interaction., Journal of Chemical Theory and Computation, vol. 15 no. 6 (June, 2019), pp. 3558-3569 [doi]  [abs]
2. Liu, JG; Lu, J; Margetis, D; Marzuola, JL, Asymmetry in crystal facet dynamics of homoepitaxy by a continuum model, Physica D: Nonlinear Phenomena, vol. 393 (June, 2019), pp. 54-67 [doi]  [abs]
3. Cao, Y; Lu, J; Lu, Y, 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), pp. 052202-052202, AIP Publishing [doi]  [abs]
4. Lu, J; Vanden-Eijnden, E, Methodological and Computational Aspects of Parallel Tempering Methods in the Infinite Swapping Limit, Journal of Statistical Physics, vol. 174 no. 3 (February, 2019), pp. 715-733 [doi]  [abs]
5. Li, Y; Lu, J, Bold diagrammatic Monte Carlo in the lens of stochastic iterative methods, Transactions of Mathematics and Its Applications, vol. 3 no. 1 (February, 2019), pp. 1-17, Oxford University Press (OUP) [doi]  [abs]

Recent Grant Support

• FET: Small: Efficient Inference Tools for Quantum Systems: Algorithms, Applications, and Analysis, National Science Foundation, 2019/10-2022/09.      
• FET: Small: Efficient Inference Tools for Quantum Systems: Algorithms, Applications, and Analysis, National Science Foundation, 2019/10-2022/09.      
• 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, 1454939, 2015/09-2020/08.      
• CAREER: Research and training in advanced computational methods for quantum and statistical mechanics, National Science Foundation, DMS-1454939, 2015/09-2020/08.      
• Collaborative Research: SI2-SSI: ELSI-Infrastructure for Scalable Electronic Structure Theory, National Science Foundation, 1450280, 2015/06-2020/05.