POSTER
01. Undoped and doped carbon nanotubes on hexagonal boron nitride substrates under applied electric fields
(Seoung-Hun Kang)
02. Origin of universal band structures in crystalline and amorphous transparent conducting oxides
(Youngho Kang)
03. P-type doped SrTiO3 : First-Principles Calculations
(JeongSeok Kang)
04 . attice and spin dynamics of iron in a wide pressure and temperature range
(Chang-Jong Kang)
05. First-Principle Study on Formation Mechanism of Parallel Chains of 4,4”-dibromo-p-terphenyl Self-Assembled on Ag (111) Surface
(Bon-Gil Koo)
06. Adsorption properties of acetylsalicylic acid on single-walled carbon and boron nitride nanotubes base on DFT theory
(Dae-Gyeon Kwon)
07. Molecular dynamics study on liquid Ge2Sb2Te5 using hybrid density functionals
(Kye Yeop Kim)
08. Controlled Catalytic Properties of Small Pt clusters on Strained Graphene
(Gyubong Kim)
09. Structural and catalytic property of a pre-covered Pt nanoparticle with CO molecules
(Da Hye Kim)
10. Mott physics driven by the spin-orbit interaction in 2p electron dioxygenyl magnet O2PtF6
(Minjae Kim)
11. Local structure driven magnetic properties of 1D-Ising chain system: CoV2O6
(Bongjae Kim)
12. Ab initio study on the enhancement of ionic conductivity of Li3N by doping
(Seongseop Kim)
13. Atomic and electronic structures of hexagonal Ge2Sb2Te5 by pseudopotential and all-electron methods
(Sae-Jin Kim)
14. Magnetization and Pressure Effects on Charge Density Wave Properties of SmNiC2
(Jae Nyeong Kim)
15. Weyl semimetal phase in Li2IrO3
(Heung Sik Kim)
16. First principles calculations on the Mn substitutional effects in Fe3AlC
(Ji-Young Noh)
17. Adsorption of the Pt and Pd atoms on c-ZrO2 and c-Zr0.75Ce0.25O2
(Myung shin Ryu)
18. Ab initio study of diffusion mechanisms in the lithium-silicon alloy system.
(Janghyuk Moon)
19. First-principles study of the energetics and electronic structure of the Fe/(Ti, Mo)C interfaces
(Na-Young Park)
20. Electronic Band Structure of Si Nanosheets under External Strain
(Mina Park)
21. Interplay between structural and electronic properties of various fullerene derivatives, and their absorption spectra
(Sora Park)
22. Effect of Strain on Electronic and Magnetic Structures of Iron Porphyrin Tapes
(Jae-Hyeon Parq)
23. First-Principle Study for Adsorption of CO2 on the Open-Metal Site in the CPO27 Metal-Organic Framework
(Joonho Park)
24. Stability and diffusion of hydrogen in Mg-doped GaN
(Ji-Sang Park)
25. Study of Relativistic effect which works on Compound Method.
(Ji young Park)
26. Pseudospin rotation and valley mixing in electron scattering at graphene edges
(Changwon Park)
27. First Principles Study on the Polyanion Electrode Materials for Lithium Rechargeable Batteries
(Dong-Hwa Seo)
28. Ab initio study : Electronic structure modification of graphene by organic molecular adsorption
(Jaewon Seo)
29. Effect of Cu substitution for catalytic property in Ag nanoparticle
(Kihyun Shin)
30. Adsorption energies of H, O and OH on Pt55 nanoparticle by using all-electron scalar relativistic calculation
(Jungho Shin)
31. Stability of boron dopants at the interface between Si and amorphous SiO2
(Young Jun Oh)
32. Electronic Structure analysis of NO dissociation over different metal surfaces: d-band edge dependency
(Jung-Hoon Yun)
33. Application of the hybrid functional method to oxides, metals and interfaces
(Bora Lee)
34 Ab-initio phonon calculations on the various ZnSnO phases
(Joohwi Lee)
35. First-Principles Study on Raman Spectra of Pristine and Hydrogen Adsorbed Graphene Flake
(Chang-Sun Lee)
36. First-Principles Study on Adsorption of Caffeine and Nicotine on Carbon Nanotubes
(Hyung-June Lee)
37. Hybrid functional calculations of T-carbon
(Jun Young Jo)
38. The electronic and transport properties of hydrogenated graphene nanoribbons
(Duk-Hyun Choe)
39. Propagating Hydrogenation in positively charged Metal-Organic Framework and Prediction of Nitrogen-Based Organic Linker as a receptor of hydrogen spillover
(Sunghwan Choi)
40. Theoretical and experimental study of Si2H6 adsorption on Si (100) and Ge (100)
(Heesung Choi)
41. Ab initio study of Ga and N surface vacancies in wurtzite GaN
(Jung-Min Hyun)
42. First-principles study of electronic structure and magnetic properties of the spinel Fe2MO4 alloys (M=Fe, Co, and Ti)
(D. Odkhuu)
43. Density functional theory calculations for interaction of Li+ cations and PF6- anions with non-aqueous electrolytes
(Mahesh Datt Bhatt)
44. Dimensionality crossover and Airy-function electron confinement in SrTiO3/Sr1-xLaxTiO3 superlattice
(P. V. Ong)
45. DFT calculations for early stage deposition of Mg & O atoms on GaAs(001) surface: β2(2x4) reconstruction
(Rizcky Tamarany)
46. Magnetism during adsorption of oxygen in Pt segregated Pt3Ni (111): Density Functional Study
(Sharma Bharat Kumar)
47. Magnetism of LixFePO4(x=0, 0.5, and 1): Ab initio study
(Tumurbaatar Tsevelmaa)
48. First-Principles Study of Electronic Structure and Hydrogen Adsorption of 3d-Transition Metal Exposed Paddle Wheel Frameworks
(Viet-Duc Le)
49. Fermi surface nesting and charge density wave formation in SmTe3 and BaFe2As2
(Ju Young Kim)
50. Origin of Multiple Conductance Peaks in Single-Molecule Junction Experiments
(Hu Sung Kim)