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)

Predicting radiation distribution via neural operator trained on basis function-generated data - Ankang Hu; Kaiwen Li; Rui Qiu; Junli Li (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)

I2DM: A Monte Carlo framework for ion irradiation on two-dimensional materials - Tianzhao Li; Wenjin Gao; Guoxiang Zhi; Shuwei Zhai; Jiahua Xu; Ling Zhang; Weijuan Hu; Biyu Song; Shuoke Xu; Miao Zhou (Computer Physics Communications, 2025)

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)

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)