Atomistic Line Graph Neural Network
PulseAugur coverage of Atomistic Line Graph Neural Network — every cluster mentioning Atomistic Line Graph Neural Network across labs, papers, and developer communities, ranked by signal.
2 day(s) with sentiment data
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Graph Neural Networks Enhance Material Property Prediction for High-Entropy Oxides
Researchers have explored the use of graph neural networks (GNNs) for predicting the properties of high-entropy perovskite oxides (HEPOs), a complex class of materials. The study investigated ordered-to-disordered trans…
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New GNN models advance crystal property prediction and molecular simulations
Researchers have developed new graph neural network (GNN) models for predicting crystal properties. One approach, CPGN, uses a multi-scale GNN to jointly learn atomic, bond, and coordination-polyhedron representations, …
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AI expands Alexandria database with 1.3M new stable compounds
Researchers have developed a new multi-stage workflow for computational materials discovery, achieving a 99% success rate in identifying stable compounds. This process utilized the Matra-Genoa generative model, Orb-v2 p…