11 citations · 17 across the 3 of their papers we have counts for
3 papers
cond-mat.mes-hall2024★ 2 cited
A New Direction for First-Principles Device Simulations
Yong-Hoon Kim, Ryong-Gyu Lee
The continued miniaturization of semiconductor devices, represented by Moore's law, has reached the atomic scale limit, requiring nanoscale quantum mechanical effects to be include…
physics.comp-ph2024★ 11 cited
Convolutional network learning of self-consistent electron density via grid-projected atomic fingerprints
Ryong-Gyu Lee, Yong-Hoon Kim
The self-consistent field (SCF) generation of the three-dimensional (3D) electron density distribution () represents a fundamental aspect of density functional theory (DFT) and…
cond-mat.mtrl-sci2024★ 4 cited
Ab initio calculation of the nonequilibrium adsorption energy
Juho Lee, Hyeonwoo Yeo, Ryong-Gyu Lee +1
While first-principles calculations of electrode-molecule binding play an indispensable role in obtaining atomic-level understanding in surface science and electrochemistry, a sign…