most citedRevealing the proton slingshot mechanism in solid acid electrolytes through machine learning molecular dynamics

3 citations · 4 across the 3 of their papers we have counts for

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cs.LG2025

Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schrödinger Equation

Kevin Han Huang, Ni Zhan, Elif Ertekin +2

Incorporating group symmetries into neural networks has been a cornerstone of success in many AI-for-science applications. Diagonal groups of isometries, which describe the invaria…