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cs.LG2026
NEMORA: Neural Equivariant Multipole Operators for Long-Range Atomistic Learning
Jay L. Kaplan, Samuel Varner, Rebecca Willett +1
Equivariant graph neural networks have emerged as foundational architectures for machine-learned interatomic potentials, approaching quantum-chemical accuracy at a fraction of the…
cond-mat.soft2026
Stockmayer Fluid with a Shifted Dipole: Bulk Behavior
Pierre J. Walker, Ananya Venkatachalam, Samuel Varner +2
Shifting the point dipole from the center of a Stockmayer particle is a simple geometric modification that has been explored previously, yet its implications for liquid structure,…