Combining Deep Learning Neural Networks with Genetic Algorithms to Map Nanocluster Configuration Spaces with Quantum Accuracy at Low Computational Cost - von der Heyde, Johnathan; Malone, Walter; Zaman, Nusaiba; Kara, Abdelkader (Journal of chemical information and modeling, 2023)
Keywords: Bimetals; Computational efficiency; Computing costs; Configurations; Deep learning; Density functional theory; Genetic algorithms; Intermetallic compounds; Machine learning; Machine Learning and Deep Learning; Nanoclusters; Neural networks; Performance evaluation; Substrates