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Atomic-Scale
Device Simulation Lab

Presentations

2018
157 Self-interaction correction calculations of band edges and alignments in transition metal dichalcogenides and their heterostructures 김효석, 김용훈 한국물리학회 봄학술논문발표회, 2018.04.26
156 Electron and spin transport properties of carbon chains stretched between graphene nanoribbon electrodes 김태형, 김후성, 김용훈 한국물리학회 봄학술논문발표회, 2018.04.26
155 Development of a first-principles approach for the finite-bias simulation and its verifications using molecule junction systems 여현우, 이주호, 김한슬, 김용훈 한국물리학회 봄학술논문발표회, 2018.04.26
154 Strain effect on the electronic properties of Copper doped CdSe nanoplatelet 변성재, 김용훈 한국물리학회 봄학술논문발표회, 2018.04.26
153 On the Origin of High Hydrogen Evolution Catalytic Activity and Stability in Cobalt-Embedded C2N 노민종, 김효석, 김용훈 한국물리학회 봄학술논문발표회, 2018.04.26
152 On the Origin of High Hydrogen Evolution Catalytic Activity and Stability in Cobalt-Embedded C2N 노민종, 김효석, 김용훈 APS March Meeting 2018, 2018.03.06
151 Nanostructuring of Hybrid Halide Perovskites Down to stable Low-Dimensional and Semi-Metallic Allotropes: An ab initio study Muhammad Ejaz Khan, 김용훈 APS March Meeting 2018, 2018.03.06
2017
150 Understanding Oxidation Mechanism of MoS2 Slab and Ribbon: Frist Principles Calculations Muhammad Sufyan Ramzan, 최지일, 김용훈 한국물리학회 2016년 가을 학술논문발표회, 2017.10.20
149 Towards Reality in Modeling of Nano-scale Contacts 김용훈 10th International Conference on Computational Physics, 2017.01.
148 Density functional theory studies of TiO2 for photocatalysis and Li storage applications 김용훈, 최지일, 이동기, 이규헌, 강중구 APS March Meeting 2017, 2017.03.15
147 Development of a multi-space constrained density functional theory for non-equilibrium quantum transport simulations 김한슬, 김용훈 APS March Meeting 2017, 2017.03.15
146 Atomistics of Polyacrylonitrile-Carbon Nanotube Interfaces for Next-Generation Carbon Fibers: A Multiscale Computational study 이주호, 김용훈, 장승순, 최지일, Cho Art E APS March Meeting 2017, 2017.03.16
145 Effects of the length of linkers for metal-azobenzene-metal junction and relation between linker and ON/OFF ratio 여현우, 김용훈 제6회 첨단 사이언스 교육 허브 개발(EDISON) SW 활용 경진대회, 2017.03.24
144 제 1원리를 이용한 CdZnS양자막대의 쉘 성장 메커니즘 연구 김용훈, 변성재 제6회 첨단 사이언스 교육 허브 개발(EDISON) SW 활용 경진대회, 2017.03.24
143 Development of magnetism in armchair graphene nanoribbons with edge functionalizations: A first-principles study 신동재, 김용훈 제6회 첨단 사이언스 교육 허브 개발(EDISON) SW 활용 경진대회, 2017.03.24

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