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Found 2 papers, 1 papers with code
EquiReact: An equivariant neural network for chemical reactions
Equivariant neural networks have considerably improved the accuracy and data-efficiency of predictions of molecular properties.
Learning on-top: regressing the on-top pair density for real-space visualization of electron correlation
The on-top pair density [$\Pi(\vec{r})$] is a local quantum chemical property, which reflects the probability of two electrons of any spin to occupy the same position in space.
Chemical Physics Quantum Physics
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