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20242026
most citedOmics-scale polymer computational database transferable to real-world artificial intelligence applications

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cond-mat.mtrl-sci2024

SPACIER: On-Demand Polymer Design with Fully Automated All-Atom Classical Molecular Dynamics Integrated into Machine Learning Pipelines

Shun Nanjo, Arifin, Hayato Maeda +5

Machine learning has rapidly advanced the design and discovery of new materials with targeted applications in various systems. First-principles calculations and other computer expe…