Jiuyang Liang (梁久阳)

Jiuyang Liang (梁久阳)

PhD in computational mathematics

About me

I am currently a Flatiron Research Fellow at the Flatiron Institute, part of the Simons Foundation, where I work with Prof. Shidong Jiang and Leslie Greengard. I received my Phd degree in 2023 from the School of Mathematical Science and the Institute of Natural Sciences at Shanghai Jiao Tong University, where I was fortunately advised by Prof. Zhenli Xu. I obtained my B.S. in Mathematics from Zhiyuan College (Zhiyuan Honors Program) in 2017. (Updated 05/22/2025)

Research Interests

My current research interests lie in computational mathematics and computational physics, with a focus on developing fast algorithms and machine learning interatomic potentials for long-range systems, kernel-independent functional approximations, numerical solutions of PDEs, and their high-performance implementations.

The RBE Algorithm and Parallel Implementation



Publications

  1. X. Gao, Q. Zhou, Z. Gan and J. Liang, Accurate Error Estimates and Optimal Parameter Selection in Ewald Summation for Dielectrically Confined Coulomb Systems, accepted by J. Chem. Theory Comput. (2025).
  2. Z. Gan, X. Gao, J. Liang and Z. Xu, Random batch Ewald method for dielectrically confined Coulomb systems, accepted by SIAM J. Sci. Comput. (2025).
  3. J. Liang, Z. Xu and Q. Zhou, Error estimate of the u-series method in molecular dynamics simulations, Appl. Comput. Harmon. Anal. 77 (2025), 101759.
  4. C. Chen, J. Liang and Z. Xu, Random batch sum-of-Gaussians algorithm for molecular dynamics simulations of Yukawa systems in three dimensions, J. Comput. Phys. 531 (2025), 113922.
  5. Z. Gan, X. Gao, J. Liang and Z. Xu, Fast algorithm for quasi-2D Coulomb systems, J. Comput. Phys. 524 (2025), 113733.
  6. W. Gao, T. Zhao, Y. Guo, J. Liang, H. Liu, M. Luo, Z. Luo, W. Qin, Y. Wang, Q. Zhou, S. Jin, and Z. Xu, RBMD: A molecular dynamics package enabling to simulate 10 million all-atom particles in a single graphics processing unit, accepted by Commun. Comput. Phys. (2024).
  7. L. Li, J. Liang, and Z. Xu, Comment on `Pressure of Coulomb systems with volume-dependent long-range potentials’, J. Phys. A: Math. Theor., 58 (2025), 088001.
  8. J. Liang, Z. Xu and Y. Zhao, Energy stable scheme for random batch molecular dynamics, J. Chem. Phys., 160(2024), 034101.
  9. J. Fu, J. Liang, B. Perthame, M. Tang, and C. Zhong, Confined run-and-tumble model with boundary aggregation: long time behavior and convergence to the confined Fokker-Planck model, Math. Mod. Meth. Appl. Sci., Vol. 33, No. 13, pp. 2743-2783, 2023.
  10. J. Liang, Z. Xu and Q. Zhou, Random batch sum-of-Gaussians method for molecular dynamics simulations of particle systems. http://arxiv.org/abs/2205.13824. SIAM J. Sci. Comput., 45 (2023), B591-B617.
  11. J. Liang, P. Tan, L. Hong, S. Jin, Z. Xu and L. Li, A random batch Ewald method for charged particles under the isothermal-isobaric ensemble. J. Chem. Phys., 157 (2022), 144102.
  12. Z. Gao, J. Liang and Z. Xu, A kernel-independent sum-of-exponentials method, J. Sci. Comput., 93, 40 (2022).
  13. J. Liang, Z. Xu and Y. Zhao, Improved random batch Ewald method in molecular dynamics simulations, J. Phys. Chem. A., 126 (2022), 22, 3583–3593.
  14. J. Liang, J. Yuan and Z. Xu, HSMA: An O(N) electrostatics package implemented in LAMMPS, Comput. Phys. Commun., 276(2022), 108332.
  15. J. Liang, P. Tan, Y. Zhao, L. Li, S. Jin, L. Hong and Z. Xu, Superscalability of the random batch Ewald method. J. Chem. Phys., 156 (2021), 014114.
  16. J. Liang, Z. Xu and Y. Zhao, Random-batch list algorithm for short-range molecular dynamics simulations. J. Chem. Phys., 155 (2021), 044108.
  17. J. Liang, Z. Gao and Z. Xu, A kernel-independent sum-of-Gaussians method by de la Vallée-Poussin sums. Adv. Appl. Math. Mech., 13(2021), pp. 1126-1141.
  18. J. Liang, P. Liu and Z. Xu, A high-accurate fast Poisson solver based on harmonic surface mapping algorithm. Commun. Comput. Phys., 30(2021), 210-226.
  19. J. Liang, J. Yuan, E. Luijten and Z. Xu, Harmonic surface mapping algorithm for molecular dynamics simulations of particle systems with planar dielectric interfaces. J. Chem. Phys., 152(2020), 134109.
  20. Q. Zhao, J. Liang and Z. Xu, Harmonic surface mapping algorithm for fast electrostatic sums. J. Chem. Phys., 149(2018), 084111.

Preprints

  1. X. Gao, S. Jiang, J. Liang, Z. Xu, Q. Zhou, A fast spectral sum-of-Gaussians method for electrostatic summation in quasi-2D systems.
  2. L. Ji, J. Liang, Z. Xu, Machine-learning interatomic potentials for long-range systems.
  3. J. Liang, L. Lu, A. Barnett, L. Greengard, S. Jiang, Accelerating Fast Ewald Summation with Prolates for Molecular Dynamics Simulations.

Talks and Posters

Invited Talks

  1. May 2025, SIAM Conference on Applications of Dynamical Systems (DS25), Sheraton Denver Downtown Hotel, Denver.
  2. Jul. 2024, International Conference on Scientific Computation and Differential Equations (SciCADE), National University of Singapore, Singapore.
  3. Sep. 2023, Workshop on analysis and computation for interacting particle systems, Shanghai Jiao Tong University.
  4. Aug. 2023, Minisymposium talk, ICIAM 2023, Tokyo, Japan.
  5. Jun. 2023, Mini-Workshop on Scientific Computing: Algorithm and Modeling, Shanghai Jiao Tong University.
  6. Dec. 2021, Conference on Computing Technology 2021, Guangfulin Chancellery Hotel.
  7. Oct. 2021, Project Startup Meeting, “Technology Innovation Major Action Plan” of Shanghai Science and Technology Commission, Shanghai Jiao Tong University.
  8. Sep. 2019, The 2nd SJTU-HKBU Joint Workshop, Shanghai Jiao Tong University.

Posters

  1. Aug. 2023, The First International Congress of Basic Science (ICBS), the Yanqi Lake Beijing Institute of Mathematical Sciences and Applications.
  2. Jun. 2021, Mathematics in Action (MiA2021): Modeling and Analysis in Molecular Biology and Electrophysiology, Duke Kunshan University
  3. Dec. 2019, The 15th Congress on Computational Methods of Science and Engineering, Shanghai Maritime University.

Patent

  1. 2021, Method and System for Calculating Particle Interactions, Publication Number: CN 112733416 A.
  2. 2022, A near-field acceleration method for the random batch Ewald method, Application Number: 2022103716431.
  3. 2022, A random batch sum-of-Gaussians method for molecular dynamics simulations, Application Number: 202210449795.9.

Honors and Awards (2017-)

  1. 2023, Selected for the “Siyuan” Postdoctoral Overseas Fellowship Program
  2. 2022, The 7th Academic Star of Shanghai Jiao Tong University (10 students from various disciplines at Shanghai Jiao Tong University)
  3. 2022, National Scholarship
  4. 2022, Shanghai Outstanding Doctoral Graduates
  5. 2021, Shanghai Advanced Research Base of Modern Analysis Scholarship
  6. 2021, National Scholarship
  7. 2019, Kaiyuan scholarship (12 of students at Shanghai Jiao Tong University)
  8. 2018, Zhefu Tao scholarship
  9. 2017, Honorary Graduate at Zhiyuan College