/tools/reciprocal_space_attention
reciprocal_space_attention
rfhari/reciprocal_space_attention
18 stars1 forksPythonAdded February 5, 2026
summary
Reciprocal Space Attention (RSA) is a machine learning framework designed to capture long-range interactions in molecular systems by utilizing a Fourier domain approach. It enhances existing interatomic potentials by addressing the limitations of local and semi-local models, making it suitable for various chemical and materials systems.
description
Reciprocal Space Attention (RSA) for Learning Long-Range Interactions
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