Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure. - Changjun Hu; He Bai 005; Xinfu He; Boyao Zhang; Ningming Nie; Xianmeng Wang; Yingwen Ren (Comput. Phys. Commun., 2017)

Kernel optimization for short-range molecular dynamics. - Changjun Hu; Xianmeng Wang; Jianjiang Li; Xinfu He; Shigang Li 002; Yangde Feng; Shaofeng Yang; He Bai 005 (Comput. Phys. Commun., 2017)

Generative Model for Material Experiments Based on Prior Knowledge and Attention Mechanism. - Mincong Luo; Xinfu He; Li Liu (CoRR, 2018)

Special issue on advanced simulation in engineering. - Jue Wang; Xinfu He (Int. J. High Perform. Comput. Appl., 2020)

MD Simulation of Hundred-Billion-Metal-Atom Cascade Collision on Sunway Taihulight. - Genshen Chu; Yang Li; Runchu Zhao; Shuai Ren; Wen Yang; Xinfu He; Chungjun Hu; Jue Wang (CoRR, 2021)

MD simulation of hundred-billion-metal-atom cascade collision on Sunway Taihulight. - Genshen Chu; Yang Li; Runchu Zhao; Shuai Ren; Wen Yang; Xinfu He; Changjun Hu; Jue Wang (Comput. Phys. Commun., 2021)

An overview: multiscale simulation in understanding the radiation damage accumulation of reactor materials. - Dandan Chen; Xinfu He; Genshen Chu; Xiao He; Lixia Jia; Zhaoshun Wang; Wen Yang; Changjun Hu (Simul., 2021)

Data-Driven Approach for Investigation of Irradiation Hardening Behavior of RAFM Steel. - Zongguo Wang; Ziyi Chen; Xinfu He; Han Cao; Yuedong Cui; Meng Wan; Jue Wang 013; Yangang Wang (KSEM (2), 2022)

A parallel ETD algorithm for large-scale rate theory simulation. - Jianjiang Li; Jiali Li; Yun Yang; Baixue Ji; Dandan Chen; Xinfu He; Ningming Nie (J. Supercomput., 2022)

SwarmThinkers: Learning Physically Consistent Atomic KMC Transitions at Scale. - Qi Li; Kun Li 016; Haozhi Han; Honghui Shang; Xinfu He; Yunquan Zhang; Hong An; Ting Cao; Mao Yang 004 (CoRR, 2025)