1) Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics - Physical Review Letters - 2018
2) Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning - SC'20: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis - 2020
3) Active learning of uniformly accurate interatomic potentials for materials simulation - Physical Review Materials - 2019
4) The Phase Diagram of a Deep Potential Water Model - Physical Review Letters - 2021
5) Efficient sampling of high-dimensional free energy landscapes using adaptive reinforced dynamics - Nature Computational Science - 2021