Zecheng Gan Scientific Computing & AI for Physical and Materials Sciences

Publications

Publications, Accepted Manuscripts & Preprints

Publications and accepted manuscripts

authors listed alphabetically; corresponding author; equal contribution.

Since joining HKUST(GZ)

2026 (5)

  1. Designing Coulombic contact interactions between polarizable particles through asymmetry

    Y. Duan and Z. Gan*

    Journal of Chemical Theory and Computation, 2026.

    DOI

  2. Dipolar cohesion in densely packed confined columns

    Y. Duan, Z. Gan, H. Mohrbach, H.-K. Chan*, and R. Messina*

    Journal of Chemical Physics 164, 064905, 2026.

    DOIPDF

  3. An O(N) quasi-Ewald splitting method for nanoconfined electrostatics

    (α-β) Z. Gan, X. Gao, and Y. Li

    SIAM Multiscale Modeling and Simulation, 2026. Accepted.

    PDF

  4. LSR-Net: Learning the forward evolution operator for nonlinear fluid dynamics

    Q. Hou, S. Sutrisno, Y. Li, and Z. Gan*

    15th Asian Control Conference, 2026. Accepted.

    PDF

  5. Observable and Reachable Dual Systems for Discrete-Time Surrogate Singular Linear Switched Systems

    Sutrisno, R. H. S. Utomo, M. Z. Almuzakki, A. M. Burohman, and Z. Gan

    15th Asian Control Conference, 2026. Accepted.

    PDF

2025 (8)

  1. Accurate error estimates and optimal parameter selection in Ewald summation for dielectrically confined Coulomb systems

    X. Gao&, Q. Zhou&, Z. Gan*, and J. Liang*

    Journal of Chemical Theory and Computation 21, 5890-5904, 2025.

    DOIPDF

  2. Random batch Ewald method for dielectrically confined Coulomb systems

    (α-β) Z. Gan, X. Gao, J. Liang, and Z. Xu

    SIAM Journal on Scientific Computing 47, B846-B874, 2025.

    DOIPDF

  3. Quantitative theory for critical conditions of like-charge attraction between polarizable spheres

    Y. Duan and Z. Gan*

    Journal of Chemical Theory and Computation 21, 2822-2828, 2025.

    DOIPDF

  4. Mechanisms of electrostatic interactions between two charged dielectric spheres inside a polarizable medium: an effective-dipole analysis

    Y. Duan, Z. Gan*, and H.-K. Chan*

    Soft Matter 21, 1860-1872, 2025. Featured journal cover article.

    DOIPDF

  5. Fast algorithm for quasi-2D Coulomb systems

    (α-β) Z. Gan, X. Gao, J. Liang, and Z. Xu

    Journal of Computational Physics 524, 113733, 2025.

    DOIPDF

  6. Microwave-assisted catalytic upcycling of polyolefin wastes into hydrogen and carbon nanotubes over Pt-promoted Fe/Ni bimetallic catalysts

    Y. Qiao, X. Chen, Z. Wang, W. Xu, Z. Gan, and J. Wang*

    Applied Catalysis B: Environment and Energy 384, 126214, 2025.

    DOIPDF

  7. Estimating heat generation rate of cylindrical lithium-ion batteries by a transfer function

    Y. Xie, X. Lu, P. Bao, Y. Li, Z. Gan, D. Xiao, T.-Y. Zhang*, and J. Huang*

    Journal of The Electrochemical Society 172, 080505, 2025.

    DOIPDF

  8. Passivating deep-level defects with Ag alloying to enhance the efficiency of Cu(In,Ga)(S,Se)2 solar cells

    X.-Y. Chen, Z. Huang, Z. Gan, B. Dou, Y. Wang, X. Zhang, and C. Yan*

    Journal of Physical Chemistry C 129, 8537-8544, 2025.

    DOIPDF

2024 (2)

  1. Broken symmetries in quasi-2D charged systems via negative dielectric confinement

    X. Gao and Z. Gan*

    Journal of Chemical Physics 161, 011102, 2024.

    DOIPDF

  2. Interplay of chemotactic force, Péclet number, and dimensionality dictates the dynamics of auto-chemotactic chiral active droplets

    C. W. Chan, Z. Yang, Z. Gan, and R. Zhang*

    Journal of Chemical Physics 161, 014904, 2024.

    DOIPDF

2023 (1)

  1. Computing hydrodynamic interactions in confined doubly periodic geometries in linear time

    A. Hashemi*, R. P. Peláez, S. Natesh, B. Sprinkle, O. Maxian, Z. Gan, and A. Donev

    Journal of Chemical Physics 158, 154101, 2023.

    DOIPDF

Before joining HKUST(GZ)

2021 (1)

  1. Harmonic surface mapping algorithm for electrostatic potentials in an atomistic/continuum hybrid model for electrolyte solutions

    J. Fu and Z. Gan*

    Communications in Computational Physics, 2021.

    PDF

2019 (2)

  1. Efficient dynamic simulations for charged dielectric spheres through a novel hybrid method

    Z. Gan, Z. Wang, S. Jiang, Z. Xu, and E. Luijten*

    Journal of Chemical Physics 151, 024112, 2019. Selected for the 2019 Journal of Chemical Physics Editors' Choice.

    PDF

  2. On-node lattices construction using partial Gauss-Hermite quadrature for the lattice Boltzmann method

    H. Ye, Z. Gan, J. W. Shim, B. Kuang, and Y. Yang*

    Chinese Physics B 28, 054702, 2019.

    PDF

2017 (1)

  1. Ion structure near core-shell dielectric nanoparticle

    M. Ma, Z. Gan, and Z. Xu*

    Physical Review Letters 118, 076102, 2017.

    PDF

2016 (2)

  1. Hybrid Monte Carlo and continuum modeling of electrolyte with concentration-induced dielectric variations

    X. Guan, M. Ma, Z. Gan, Z. Xu*, and B. Li

    Physical Review E 94, 053312, 2016.

    PDF

  2. A hybrid method for systems of closely spaced dielectric spheres and ions

    Z. Gan, S. Jiang, E. Luijten, and Z. Xu*

    SIAM Journal on Scientific Computing 38, B375-B395, 2016.

    PDF

2015 (1)

  1. Comparison of efficient techniques for the simulation of dielectric objects in electrolytes

    Z. Gan, H. Wu, K. Barros, Z. Xu, and E. Luijten*

    Journal of Computational Physics 291, 317-333, 2015.

    PDF

2014 (1)

  1. Efficient implementation of the Barnes-Hut octree algorithm for Monte Carlo simulations of charged systems

    Z. Gan and Z. Xu*

    Science China Mathematics 57, 1331-1340, 2014.

    PDF

2012 (1)

  1. Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers

    Z. Gan, X. Xing, and Z. Xu*

    Journal of Chemical Physics 137, 034708, 2012.

    PDF

2011 (1)

  1. Multiple-image treatment of induced charges in Monte Carlo simulations of electrolytes near a spherical dielectric interface

    Z. Gan and Z. Xu*

    Physical Review E 84, 016705, 2011.

    PDF

Book chapters

  1. AI and Materials Science

    Z. Gan, J. Wu, J.-G. Liu, G.-Y. Zhu, and P. Gao

    Book chapter, edited by Lei Chen and Li Liu. In press. Chapter in an interdisciplinary AI+X general-education course textbook.

    PDF

Under review

  1. LSR-Net: Long-short-range operator learning for pattern dynamics on manifolds

    Q. S. Hou and Z. Gan

    Under review.

    PDF

  2. A spectral-subspace-augmented POD-Galerkin method for parametrized PDEs with limited snapshot data

    T. Hu and Z. Gan

    Under review.

    PDF

  3. Cohesion and helicity in densely packed dipolar columns

    Y. Duan, Z. Gan, H.-K. Chan, and R. Messina

    Under review.

    PDF

  4. Inferring pattern formation from early-stage snapshots via long-short-range neural network

    Q. S. Hou and Z. Gan

    Under review.

    PDF

  5. Reformulating neural operators in d+1 dimensions for embedding evolution

    H. Song, Z. Li, X. Zhang, Z. Gan, Z. Lai, and W. Wang

    Under review.

    PDF

Preprints

  1. Spatial disorder can enhance temporal order in a hierarchical active matter

    Z. Yang, Z. Gan, and R. Zhang

    Preprint.

  2. A volume-grid-free history-integral model for wake-memory dynamics of patterned autochemotactic particles

    Z. Yang, C. W. Chan, R. Zhang, and Z. Gan

    Preprint.

  3. RCIP-based reduced-basis modeling for frequency sweeps in nearly touching plasmonic disks

    T. Hu and Z. Gan

    Preprint.