A bounded-degree graph recurrent neural network, augmented with RBM-inspired correlators and a semistochastic energy estimator, reaches chemical accuracy for H50, an iron-sulfur cluster model, and a 3D H18 cluster.
Expressibility of comb tensor network states (CTNS) for the P-cluster and the FeMo-cofactor of nitrogenase
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Hybrid tensor network and neural network quantum states for quantum chemistry
A bounded-degree graph recurrent neural network, augmented with RBM-inspired correlators and a semistochastic energy estimator, reaches chemical accuracy for H50, an iron-sulfur cluster model, and a 3D H18 cluster.