Accelerating large-scale plane-wave hybrid functional calculations via low-rank approximations and high-performance computing on the Sugon supercomputer - Yufan Yao; Junwei Feng; Lingyun Wan; Shizhe Jiao; Jielan Li; Junshi Chen; Hong An; Xinming Qin; Wei Hu; Jinlong Yang (Computer Physics Communications, 2026)

Spinss: Accelerating the four-state method for spin Hamiltonian via appropriate initial spin densities - Xinlong Yang; Menglei Li; Fawei Zheng (Computer Physics Communications, 2026)

A new DGTD algorithm for calculating radiation form rotationally symmetric antennas - Hui Chen; Qian Yang; Linqian Li; Bing Wei; Jiarong Dong; Zhaomin Li (Computer Physics Communications, 2026)

Reconstructing Laurent expansion of rational functions using p-adic numbers - Tianya Xia; Li Lin Yang (Computer Physics Communications, 2026)

A structure-preserving PINN with embedded periodic boundary layer and adaptively enforced initial conditions for geometric flows - Meng Li; You Yang (Computer Physics Communications, 2025)

Global constraints preserving Lagrange multiplier approach for the incompressible flow-coupled phase-field vesicle membrane models - Yanqing He; Qi Li; Xiaofeng Yang (Computer Physics Communications, 2025)

A numerical study of the symplectic FDTD(,) method combined with matrix exponential technique for anisotropic magnetized plasma - Guilin Hou; Guoda Xie; Wenjie Ding; Yingsong Li; Yang Hong; Zhixiang Huang (Computer Physics Communications, 2025)

GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND) - R. Alves Batista; A. Benoit-Lévy; T. Bister; M. Bohacova; M. Bustamante; W. Carvalho; Y. Chen; L. Cheng; S. Chiche; J.M. Colley; P. Correa; N. Cucu Laurenciu; et al. (Computer Physics Communications, 2025)

Multilevel Schur-complement algorithms for scalable parallel reservoir simulation with temperature variation - Mei Zhang; Haijian Yang; Yong Liu; Rui Li (Computer Physics Communications, 2024)

Sym4state.jl: An efficient computation package for magnetic materials - Guolin Wan; Yuhui Li; Ting Lai; Peixuan Li; Yongqian Zhu; Jingyu Yang; Yan-Fang Zhang; Jinbo Pan; Shixuan Du (Computer Physics Communications, 2024)

Massively parallel implementation of iterative eigensolvers in large-scale plane-wave density functional theory - Junwei Feng; Lingyun Wan; Jielan Li; Shizhe Jiao; Xinhui Cui; Wei Hu; Jinlong Yang (Computer Physics Communications, 2024)

Local volume-conservation-improved diffuse interface model for simulation of Rayleigh–Plateau fluid instability - Jianqing Li; Junxiang Yang (Computer Physics Communications, 2024)

A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials - Dandan Chen; Jingyuan Hu; Shaoxiong Yang; Xiao He; Yang Li; Shuai Ren; He Bai; Jue Wang (Computer Physics Communications, 2024)

Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW - Zhenglu Li; Gabriel Antonius; Yang-Hao Chan; Steven G. Louie (Computer Physics Communications, 2024)

An efficient heterogeneous parallel algorithm of the 3D MOC for multizone heterogeneous systems - Runhua Li; Jie Liu; Guangchun Zhang; Chunye Gong; Bo Yang; Yuechao Liang (Computer Physics Communications, 2023)

MagneticKP: A package for quickly constructing ⋅ models of magnetic and non-magnetic crystals - Zeying Zhang; Zhi-Ming Yu; Gui-Bin Liu; Zhenye Li; Shengyuan A. Yang; Yugui Yao (Computer Physics Communications, 2023)

QPC-TDSE: A parallel TDSE solver for atoms and small molecules in strong lasers - Zhao-Han Zhang; Yang Li; Yi-Jia Mao; Feng He (Computer Physics Communications, 2023)

Effects of dust particle number on the structure and dynamics in a binary complex plasma system by Langevin dynamics simulation - Baoxia Li; Yang Liu; Xiaojiang Tang; Guannan Shi; Haoyu Qi; Xin Liu; Eric Robert; Feng Huang (Computer Physics Communications, 2023)

Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators - Yan Ting Li; Kai Wang; Ran Si; Michel Godefroid; Gediminas Gaigalas; Chong Yang Chen; Per Jönsson (Computer Physics Communications, 2023)

Effects of temperature on the structures and dynamics of a binary complex plasma - Baoxia Li; Yang Liu; Haoyu Qi; Hanyu Tang; Feng Huang (Computer Physics Communications, 2023)