Information-entropy-driven generation of material-agnostic datasets for machine-learning interatomic potentials - P. A. Subramanyam, Aparna; Perez, Danny (npj computational materials, 2025)
Keywords: 639/301/1023/1026; 639/301/1034/1035; 639/301/1034/1037; 639/301/119; Accuracy; Body centered cubic lattice; Characterization and Evaluation of Materials; Chemistry and Materials Science; Computational Intelligence; Configurations; Datasets; Energy; Entropy; Entropy (Information theory); Face centered cubic lattice; Learning algorithms; Machine learning; Material properties; Materials Science; Mathematical and Computational Engineering; Mathematical and Computational Physics; Mathematical Modeling and Industrial Mathematics; Optimization; Simulation; Subject specialists; Theoretical