Shuwen Yue

When do short-range atomistic machine-learning models fall short?

Shuwen Yue, Maria Carolina Muniz, Marcos F. Calegari Andrade et al. · The Journal of Chemical Physics · 2021 · 139 citations · Full text

Engineering, Machine Learning, Computational Chemistry +17

Dissolving salt is not equivalent to applying a pressure on water

Chunyi Zhang, Shuwen Yue, Athanassios Z. Panagiotopoulos et al. · Nature Communications · 2022 · 103 citations · Full text

A database of ultrastable MOFs reassembled from stable fragments with machine learning models

Aditya Nandy, Shuwen Yue, Changhwan Oh et al. · Matter · 2023 · 72 citations · Full text

Ultrastable Mofs, Machine Learning, Data Science +5

Metal–Organic Framework Stability in Water and Harsh Environments from Data-Driven Models Trained on the Diverse WS24 Data Set

Gianmarco Terrones, Shih-Peng Huang, Matthew P. Rivera et al. · Journal of the American Chemical Society · 2024 · 59 citations

Engineering, Machine Learning, Chemical Analysis +16

Dynamic properties of aqueous electrolyte solutions from non-polarisable, polarisable, and scaled-charge models

Shuwen Yue, Athanassios Z. Panagiotopoulos · Molecular Physics · 2019 · 44 citations · Full text

Electrolytes, Engineering, Electrode-electrolyte Interface +22