108 citations · 342 across the 19 of their papers we have counts for
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physics.chem-ph2023★ 30 cited
Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning
Shuxin Zheng, Jiyan He, Chang Liu +15
Advances in deep learning have greatly improved structure prediction of molecules. However, many macroscopic observations that are important for real-world applications are not fun…
physics.chem-ph2021★ 39 cited
Ab initio random structure searching for battery cathode materials
Ziheng Lu, Bonan Zhu, Benjamin W. B. Shires +2
Cathodes are critical components of rechargeable batteries. Conventionally, the search for cathode materials relies on experimental trial-and-error and a traversing of existing com…