3 papers
cond-mat.mtrl-sci2026
Physics-informed Machine Learning Prediction of Hubbard Interaction Parameters
Jiyeon Kim, Indukuru Ramesh Reddy, Bongjae Kim +1
Accurate determination of Hubbard interaction parameters is essential for beyond-DFT approaches such as DFT+, DFT+DMFT, and DFT++ in correlated materials. In practice, how…
cond-mat.str-el2025
Correlation Effects on Magnetic Structure and Lattice Dynamics of LaMnO: A First-Principles Study
Haeyoon Jung, Indukuru Ramesh Reddy, Bongjae Kim +2
LaMnO, a quadruple perovskite oxide (AA'BO-type), has attracted attention for its notable bifunctional activity in oxygen evolution and reduction reaction…
cond-mat.mtrl-sci2024
Machine Learning Prediction Models for Solid Electrolytes based on Lattice Dynamics Properties
Jiyeon Kim, Donggeon Lee, Dongwoo Lee +3
Recently, machine-learning approaches have accelerated computational materials design and the search for advanced solid electrolytes. However, the predictors are currently limited…