164 citations · 496 across the 16 of their papers we have counts for
16 papers
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…
Strain engineering and the hidden role of magnetism in monolayer VTe
Do Hoon Kiem, Min Yong Jeong, Hongkee Yoon +1
Two-dimensional transition metal dichalcogenides have attracted great attention recently. Motivated by a recent study of crystalline bulk VTe, we theoretically investigated the…
Hund's physics and the magnetic ground state of CrOX (X = Cl, Br)
Seung Woo Jang, Do Hoon Kiem, Juhyeok Lee +3
To understand the magnetic property of layered van der Waals materials CrOX (X = Cl, Br), we performed the detailed first-principles calculations for both bulk and monolayer. We fo…
First-principles-based calculation of branching ratio for 5, 4, and 3 transition metal systems
Do Hoon Kiem, Jae-Hoon Sim, Hongkee Yoon +1
A new first-principles computation scheme to calculate `branching ratio' has been applied to various , , and transition metal elements and compounds. This recently sug…
Induced magnetic two-dimensionality by hole doping in the superconducting infinite-layer nickelate NdSrNiO
Siheon Ryee, Hongkee Yoon, Taek Jung Kim +2
To understand the superconductivity recently discovered in NdSrNiO, we carried out LDA+DMFT (local density approximation plus dynamical mean-field theory) and m…
On the origin and the manipulation of ferromagnetism in FeGeTe: defects and dopings
Seung Woo Jang, Min Yong Jeong, Hongkee Yoon +2
To understand the magnetic properties of FeGeTe, we performed the detailed first-principles study. Contrary to the conventional wisdom, it is unambiguously shown that Fe$_3…