Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations. - Mohan Chen 002; Junchao Xia; Chen Huang; Johannes M. Dieterich; Linda Hung; Ilgyou Shin; Emily A. Carter (Comput. Phys. Commun., 2015)

Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning. - Weile Jia; Han Wang 006; Mohan Chen 002; Denghui Lu; Lin Lin 001; Roberto Car; Weinan E; Linfeng Zhang 002 (SC, 2020)

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. - Denghui Lu; Han Wang 006; Mohan Chen 002; Jiduan Liu; Lin Lin 001; Roberto Car; Weinan E; Weile Jia; Linfeng Zhang 002 (CoRR, 2020)

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. - Denghui Lu; Han Wang 006; Mohan Chen 002; Lin Lin 001; Roberto Car; Weinan E; Weile Jia; Linfeng Zhang 002 (Comput. Phys. Commun., 2021)

Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms. - Zhuoqiang Guo; Denghui Lu; Yujin Yan; Siyu Hu; Rongrong Liu; Guangming Tan; Ninghui Sun; Wanrun Jiang; Lijun Liu; Yixiao Chen; Linfeng Zhang 002; Mohan Chen 002; et al. (PPoPP, 2022)

Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms. - Zhuoqiang Guo; Denghui Lu; Yujin Yan; Siyu Hu; Rongrong Liu; Guangming Tan; Ninghui Sun; Wanrun Jiang; Lijun Liu; Yixiao Chen; Linfeng Zhang 002; Mohan Chen 002; et al. (CoRR, 2022)

DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials. - Wenfei Li; Qi Ou; Yixiao Chen; Yu Cao; Renxi Liu; Chunyi Zhang; Daye Zheng; Chun Cai; Xifan Wu; Han Wang 006; Mohan Chen 002; Linfeng Zhang 002 (CoRR, 2022)

Structural and mechanical properties of W-Cu compounds characterized by a neural-network-based potential. - Jianchuan Liu; Tao Chen; Sheng Mao; Mohan Chen 002 (CoRR, 2025)