2 papers
cond-mat.str-el2025
Benchmarking total energies with Hund's J terms in Hubbard-corrected spin-crossover chemistry
Lórien MacEnulty, João Paulo Almeida de Mendonça, Roberta Poloni +1
The effect of the Hund's J terms in various DFT+U+J corrections to semi-local spin-density functional theory is assessed for a series of four octahedrally coordinated Fe(II) spin-c…
cs.LG2024
Classification Tree-based Active Learning: A Wrapper Approach
Ashna Jose, Emilie Devijver, Massih-Reza Amini +2
Supervised machine learning often requires large training sets to train accurate models, yet obtaining large amounts of labeled data is not always feasible. Hence, it becomes cruci…