10 citations · 24 across the 8 of their papers we have counts for
9 papers
First-principles carrier mobility and optical absorption of strained ZnO with self-consistent Hubbard interactions
Hong-Guk Min, Wooil Yang, Sabyasachi Tiwari +2
Carrier mobility and optical absorption are key performance parameters of oxide semiconductors in transparent and flexible displays. We use a newly developed density-functional per…
Robust and Interpretable Adaptation of Equivariant Materials Foundation Models via Sparsity-promoting Fine-tuning
Youngwoo Cho, Seunghoon Yi, Wooil Yang +6
Pre-trained materials foundation models, or machine learning interatomic potentials, leverage general physicochemical knowledge to effectively approximate potential energy surfaces…
Comparing Hubbard parameters from linear-response theory and a Hartree-Fock-based approach
Wooil Yang, Iurii Timrov, Francesco Aquilante +1
Density-functional theory with on-site and inter-site Hubbard corrections (DFT++) is widely used to predict properties of transition-metal and rare-earth compounds, b…
First-principles electron-phonon interactions with self-consistent Hubbard interaction: an application to transparent conductive oxides
Wooil Yang, Sabyasachi Tiwari, Feliciano Giustino +1
The ab initio computational method known as Hubbard-corrected density functional theory (DFT+) captures well ground electronic structures of a set of solids that are poorly desc…
First-principles study of dielectric properties of ferroelectric perovskite oxides with on-site and inter-site Hubbard interactions
Min Chul Choi, Wooil Yang, Young-Woo Son +1
We study the atomic and electronic structures of ferroelectric perovskite oxides, BaTiO, LiNbO, and PbTiO using ab initio extended Hubbard functionals in which the on-s…
A DFT++ study of pristine and oxygen-deficient HfO with self-consistent Hubbard parameters
Yudi Yang, Wooil Yang, Young-Woo Son +1
HfO-based ferroelectrics have emerged as promising materials for advanced nanoelectronics, with their robust polarization and silicon compatibility making them ideal for high-d…
Effects of self-consistent extended Hubbard interactions and spin-orbit couplings on energy bands of semiconductors and topological insulators
Wooil Yang, Young-Woo Son
A first-principles computational method with self-consistent on-site and inter-site Hubbard functionals is able to treat local and non-local Coulomb interactions on an equal footin…
Self-consistent tight-binding calculations with extended Hubbard interactions in rhombohedral multilayer graphene
Dongkyu Lee, Wooil Yang, Young-Woo Son +1
We study the mean-field broken symmetry phases of charge neutral multilayer rhombohedral graphene within tight-binding approximations including self-consistent extended Hubbard int…
Mean Field Theoretical Structure of He and Be Isotopes
S. J. Lee, Y. W. Son, J. W. Park
The structures of He and Be even-even isotopes are investigated using an axially symmetric Hartree-Fock approach with a Skyrme-IIIls mean field potential. In these simple HF calcul…