170 citations
- Southern University of Science and TechnologyCN13 papers
- Peking UniversityCN7 papers
- Quantum Science Center of Guangdong-Hong Kong-Macao Greater Bay AreaCN7 papers
- Tsinghua UniversityCN5 papers
- Chinese Academy of SciencesCN4 papers
- Harbin Institute of TechnologyCN4 papers
- Hefei UniversityCN4 papers
- Huazhong University of Science and TechnologyCN4 papers
- Shenzhen UniversityCN4 papers
- University of Science and Technology of ChinaCN4 papers
- Zhejiang UniversityCN4 papers
- Beijing National Laboratory for Molecular SciencesCN3 papers
Showing 2020Show all
2 papers · 1 filter
physics.chem-ph2020★ 42 cited
Deep Reinforcement Learning of Transition States
Jun Zhang, Yao-Kun Lei, Zhen Zhang +5
Combining reinforcement learning (RL) and molecular dynamics (MD) simulations, we propose a machine-learning approach (RL) to automatically unravel chemical reaction mechanisms…
physics.comp-ph2020★ 57 cited
A Perspective on Deep Learning for Molecular Modeling and Simulations
Jun Zhang, Yao-Kun Lei, Zhen Zhang +6
Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems. However, unlike the mature deployment of deep learning in computer vi…