Learning local equivariant representations for large-scale atomistic dynamics
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A simultaneously accurate and computationally efficient parametrization of the energy and atomic forces of molecules and materials is a long-standing goal in the natural...
同时兼具高精度与计算高效性的分子与材料能量及原子受力参数化方法,是自然科学领域长期以来的一个重要目标……



