Physics-inspired equivariant descriptors of non-bonded interactions
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One essential ingredient in many machine learning (ML) based methods for atomistic modeling of materials and molecules is the use of locality. While allowing better system-size...
在诸多用于材料与分子原子级建模的机器学习（Machine Learning）方法中，局域性的应用是一项核心要素。该特性可实现更优的体系尺度...
