100 citations · 297 across the 13 of their papers we have counts for
Showing 2020Show all
3 papers · 1 filter
cs.LG2020★ 4 cited
Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales
Jun Zhang, Yao-Kun Lei, Yaqiang Zhou +2
Deep learning is changing many areas in molecular physics, and it has shown great potential to deliver new solutions to challenging molecular modeling problems. Along with this tre…
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…