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cond-mat.mtrl-sci2025
Global Universal Scaling and Ultra-Small Parameterization in Machine Learning Interatomic Potentials with Super-Linearity
Yanxiao Hu, Ye Sheng, Jing Huang +7
Using machine learning (ML) to construct interatomic interactions and thus potential energy surface (PES) has become a common strategy for materials design and simulations. However…
cond-mat.mtrl-sci2022
Data-based Polymer-Unit Fingerprint (PUFp): A Newly Accessible Expression of Polymer Organic Semiconductors for Machine Learning
Xinyue Zhang, Genwang Wei, Ye Sheng +3
In the process of finding high-performance organic semiconductors (OSCs), it is of paramount importance in material development to identify important functional units that play key…