Atomic-Scale
Device Simulation Lab

Presentations

2024
245 Finite-bias molecular dynamics simulations of water at the electrified graphene surface Hyeonwoo Yeo, Juho Lee, Ryong-Gyu Lee, Yong-Hoon Kim American Physical Society, 2024.03.07
244 Convolutional neural network learning of self-consistent electron density via field-projected atomic fingerprints Ryong Gyu Lee, Yong-Hoon Kim American Physical Society, 2024.03.05
243 Unveiling the non-equilibrium energetics of ferroelectric tunnel junctions with multi-space density functional theory Kaptansinh Rajput, Ryong Gyu Lee, Tae Hyung Kim, Yong-Hoon Kim American Physical Society, 2024.03.04
2023
242 Strain & Low-temperature behavior of quantum hybridization negative differential resistance from non-Pb 1D halide perovskite Jeongwon Lee, Taehyung Kim, Juho Lee, Yong-Hoon Kim ICAMD 2023, 2023.12.08
241 First-principles study of gating-based modulation defect energy levels in hexagonal boron nitride on MoS2 Jiyoon Song, Ronggyu Lee and Yong-Hoon Kim* ICAMD 2023, 2023.12.08
240 Strain & Low-temperature behavior of quantum hybridization negative differential resistance from non-Pb 1D halide perovskite Jeongwon Lee, Taehyung Kim, Juho Lee, Yong-Hoon Kim KPS 2023, 2023.10.26
239 First-principles Study of the Atomistic Mechanism of Ferrocene-based Molecular Rectifier Jaeeun Kim, Hyeonwoo Yeo, and Yong-Hoon Kim KPS 2023, 2023.10.26
238 Study of Non-Equilibrium Energetics in Van der Waals Ferroelectric Tunnel Junctions using Multi-Space Density Functional Theory Kaptan Rajput, Ryong Gyu Lee, Tae Hyung Kim, and Yong-Hoon Kim KPS 2023, 2023.10.25
237 First-principles Study of the Atomistic Mechanism of Ferrocene-based Molecular Rectifier Tae Hyung Kim, Juho Lee, Yong-Hoon Kim SISPAD 2023, 2023.09.27
236 Silicon passivation of zigzag graphene edge enabling robust spin-polarized nanogap quantum transport Seunghyun Yu, Juho Lee, and Yong-Hoon Kim IWCN 2023, 2023.06.12
235 Theory of Electric Enthalpy of Formation in Electrified Interfaces Ryong-Gyu Lee, Juho Lee, Hyeonwoo Yeo, and Yong-Hoon Kim* IWCN 2023, 2023.06.12
234 First-principles study of water molecules at the electrified graphene surface Hyeonwoo Yeo, Juho Lee, Ryong Gyu Lee, Seunghyun Yu and Yong-Hoon Kim IWCN 2023, 2023.06.12
233 Convergence of quantum transport calculations with respect to atomic basis sets: Application to graphene-based DNA sequencing Jaeeun Kim, Han Seul Kim, Yong-Hoon Kim APS March 2023, 2023.03.22
232 Finite-Bias Calculations of Perovskite Oxide Ferroelectric Tunnel Junctions using Multi-Space Density Functional Theory Kaptan Rajput, Ryong Gyu Lee, Tae Hyung Kim, Hyeonwoo Yeo,  Juho Lee, and Yong-Hoon Kim APS March 2023, 2023.03.20
231 Silicon passivation of zigzag graphene edge enabling robust spin-polarized nanogap quantum transport Seunghyun Yu, Juho Lee and Yong-Hoon Kim* APS March 2023, 2023.03.22