113 citations · 220 across the 6 of their papers we have counts for
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physics.chem-ph2026
How Atoms Interact Within Molecules
Adil Kabylda, Malte Esders, Matteo Gori +3
Fundamental understanding of interatomic forces in molecules must emerge from quantum mechanics, yet widely used empirical force fields rely on simplified mechanistic approximation…
physics.chem-ph2024★ 16 cited
Analyzing Atomic Interactions in Molecules as Learned by Neural Networks
Malte Esders, Thomas Schnake, Jonas Lederer +4
While machine learning (ML) models have been able to achieve unprecedented accuracies across various prediction tasks in quantum chemistry, it is now apparent that accuracy on a te…