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FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu   +5 more
wiley   +1 more source

Low-dimensional compact states in 3D moiré lattices. [PDF]

open access: yesNat Commun
Gao Z   +5 more
europepmc   +1 more source

Crop rotations synergize yield, nutrition, and revenue: a meta-analysis. [PDF]

open access: yesNat Commun
Mudare S   +9 more
europepmc   +1 more source

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