Denghui Lu

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy pdf

E Weinan, Weile Jia, Lin Lin, 2020, Comput. Phys. Commun..

Multi-GPU parallelization of Deep Potential Molecular Dynamics for high-performance computing

Weile Jia, Linfeng Zhang, Mohan Chen, 2020 .

Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning

E Weinan, Weile Jia, Lin Lin, 2020, SC20: International Conference for High Performance Computing, Networking, Storage and Analysis.