•    The size of poster board is A0: 84*118.9 (cm) in a portrait format.
•    The poster presenter will stand by his/her poster to answer the questions in the poster        
     session on Nov. 1 according to the poster number assigned.
•    The posters should be set up before 11:00 am and removed at the end of the day.

Poster Schedule (Download)
List of Poster Presentations (66 presentations)
Poster Session on Tuesday, November 1, 2016
01 Yiing-Rei Chen (National Taiwan Normal University)
Molecular Function Transport of Polyene Junctions in between Angled-Cut Armchair Carbon Nanotubes

02 Shunsuke Yamada (The University of Tokyo)
An Efficient Post Processing Method for Eigenstate Calculations of Large Systems Based on the Ab Initio Divide-and-Conquer Method

03 Motoyuki Hamaguchi (Osaka University)
First-Principles Study of Cation Disordered Rock Salt Type Oxides for Lithium Ion Battery Cathode

04 Tsung-Lung Li (National Chia-Yi University)
Electronic Structures of Intramolecularly Intercalated Alkali-Rubrene Complexes

05 Wan-Sheng Su (National Taiwan Science Education Center)
Tunable Electronic Properties of Penta-Graphene Nanotubes Via External Strain

06 Mitsuaki Kawamura (Institute for Solid State Physics )
First-Principles Eigenchannel Analysis of Electronic Conduction Phenomena on Pb(111) Surface

07 Jinying Wang (University of Tokyo)
Structural Stability and Electronic Properties of Two Dimensional Transition Metal Carbides

08 Zeyuan Ni (University of Tokyo)
Germanene and Stanene on 2D Substrates: Dirac-Cone and Z2 Invariant

09 Wei Liu (The University of Tokyo)
Voltage Dependence of Au-Li System on Its Composition and Structure: A Density Functional Theory Study

10 Tsu-Hsiang Chueh (Tamkang)
First Principle Investigation on New Mid-IR Non-Linear Optical Crystal Pb17O8Cl18

11 Hirofumi Nishi (The University of Tokyo)
Band-Gap Opening and Fermi-Level-Velocity Reduction Induced by Dirac Cone Interactions in Twisted Bilayer Graphene: Band Unfoldig Approach

12 Han Li (The University of Tokyo)
First-Principles Calculations that Clarify Energetics and Reactions of Oxygen Adsorption and Carbon Desorption on 4H-Sic (11-20) Surface

13 Shusuke Kasamatsu (The University of Tokyo)
Vdw-DF + U Description of the Structure of Solid Oxygen at Low Pressure

14 Tomotaka Moriya (The University of Tokyo)
Ab Initio Calculation of Electric Field Effects in Organic Molecular Layers

15 Jaekyun Hwang (The University of Tokyo)
Ionic And Electronic Conductivity Calculations of 100 Perovskite Oxides for SOFC Cathode Materials

16 Yoritaka Furukawa (The University of Tokyo)
Analysis of Structural and Electronic Properties of Amorphous Silicon: A First-Principles Study

17 Shen-Lin Chang (National Chiao Tung University)
Memory Effect and the Thermoelectric Properties of the Ni-DNA System
18 Koji Shimizu (The University of Tokyo)
Li Ion Distribution in the Γ-Li3PO4/Au(111) Stacked System and its Change with Applied Voltage

19 Taewon Jin (Pohang University of Science and Technology (POSTECH))
Predict Stable Structure of Magnetic Transition Metal From D Electron Density and Spin Density

20 Fa-Chieh Chu (National Central University)
First Principle Study in Fe/Batio3 Superlattice

21 Phuong Thao Nguyen (Pohang University of Science and Technology)
Energy Levels Alignment of P3HT-Pbs and P3HT-Cds Hybrid Interface for Photovoltaic Applications

22 Yutaro Mori (The University of Tokyo)
Ab Initio Investigation of the Response of Bilayer Graphene to Electric Field and Carrier Doping

23 Jeng-Da Chai (National Taiwan University)
Recent Advances in Thermally-Assisted-Occupation Density Functional Theory (TAO-DFT)

24 Hiroshi Katsumoto (Osaka University.)
DFT Calculation of X-Ray Absorption Spectra in Chiral Crystal and the Angular Dependence

25 Yoshitaka Sozawa (Tokyo University of Science)
Influence of Vacancy Existing at Si/Mg2Si Interface on Thermoelectric Property of Mg2Si Sintered Body

26 Ming-Wen Chang (Fu-Jen Catholic University )
Electronic Structures of Au on CeO2(111): The Charge Variation of Au in the Presence of Multiple Oxygen Vacancies

27 Yuji Ikeda (Kyoto University)
Phonon-Band Unfolding for Disordered Crystalline Systems

28 Keisuke Ishizeki (Tokyo University of Science)
Million-Atom Simulation on Quantum Transport in Carbon Nanotubes

29 Nguyen Thi Phuong Thao (Osaka University)
Perpendicular Magnetocrystalline Anisotropy of 3D Transition-Metal Thin Films

30 Nobuya Sato (The University of Tokyo)
Prediction of Unsynthesized Oxyhydrides ATiO2H (A = K, Rb, Cs) With Two-Dimensional Electronic States

31 Masahiro Fukuda (The University of Tokyo)
Toward a Divide-Conquer Method for the non-Equilibrium Green's Function Calculation

32 Yu-Hui Tang (National Central University)
Strain-Enhanced Spin Injection in Amine-Ended Single-Molecule Magnetic Junctions

33 Seungjin Kang (Seoul National University)
XY Anti-Ferromagnetic Ordering in A-Site Deficient Spinel Ir2O4

34 Daisuke Iwasaki (Tokyo University of Science)
First-Principles Study of the Dielectric Functions of Water Adsorbed Carbon Nanotube

35 Sol Kim (Pohang University of Science and Technology (POSTECH))
Ab Initio Study of the Origin of 1T’ Phase WTe2

36 Tzu-Cheng Wang (National Taiwan University)
A First Principle Study of the Large Anomalous Hall Effect in Noncollinear Antiferromagnets Mn3Ge And Mn3Sn

37 Jihae Choi (Pohang University of Science and Technology (POSTECH))
Valley-Degenerated Conductance Steps in Gate-Defined 1D Graphene Channel

38 Sang-Hoon Lee (Pohang University of Science and Technology (POSTECH))
Second-Order Ferroelectric Phase Transition in Two-Dimensional Puckered Group-V Materials: Ab Initio Study

39 SungMo Kang (Seoul National University)
Strain-Induced Magnetic Transition in Bilayer Transition Metal Trichalcogenide CrSiTe3: A First-Principles Study

40 Shi-Hsin Lin (National Sun Yat-Sen University)
Using Molybdenum Sulfide with Sulfur Vacancies as a High Current Electrocatalyst in Hydrogen Evolution

41 Yung Ting Lee (Korea Advanced Institute of Science and Technology)
Implementation of Phonon Dispersion with LO-TO Splitting in OpenMX for Studying Polar/Strong Correlated Materials

42 Chi-Cheng Lee (The University of Tokyo)
First-Principles Calculation of Absolute Binding Energy of Core Level State in Silicene on ZrB2(0001)

43 Santu Baidya (Seoul National University)
Half-Metallic Two-Dimensional Electron Gas with non-Trivial Band Topology in [111] Oriented Double Perovskite Bilayer

44 Hiroto Imachi (Tottori University)
A Data Scientific Research on Organic Polymer Device Materials

45 Satoshi Hagiwara (Tokyo University of Science)
Positron States at Li- And O-adsorbed Fe(001) Surfaces Studied by Two-Component Density Functional Theory

46 Taisuke Ozaki (The University of Tokyo)
Core Level Binding Energies in Solids from First-Principles

47 Shota Miyauchi (Tokyo University of Science)
TDDFT Study of Carrier-Envelop Phase and Multi-Photon Effects on Electron Emission From Nanoribbons

48 Sunghyun Kim (Korea Advanced Institute of Science and Technology)
Computational Design of Direct Band Gap Carbon Superlattices with Efficient Optical Transition

49 Sunghyun Kim (Korea Advanced Institute of Science and Technology)
First-Principles Band Unfolding Method for Nanowires

50 Geun-Myeong Kim (Korea Advanced Institute of Science and Technology)
The Effect of Al Atoms on the Effective Work Function at TiN/HfO2 Interface

51 Woohyun Han (Korea Advanced Institute of Science and Technology)
High-Dimensional Artificial Neural Network Potentials for Elemental Boron

52 Batnyam Enkhtaivan (The University of Tokyo)
Theoretical Study of the Adatom Interchange Manipulation by AFM On The Ge(111) And Si(111) Surfaces

53 Hironari Miyauchi (Tokyo University of Science)
Time-Dependent Density-Functional Theory Simulations on Electron Transmittance and Talbot Effect of Bilayer Graphene

54 Kazuki Uchida (Tokyo University of Science)
Electron Excitation and Emission in Photoexfoliation: Real-Time First-Principles Study

55 Icuk Setiyawati (National Central University)
Magnetic Property of Fullerene C20 : A First-Principles Study
56 Ha-Jun Sung (Korea Advanced Institute of Science and Technology)
Tuning Dirac Points in Transition Metal Dichalcogenides By Strain Engineering

57 Lin-yuan Chen (National Chiao Tung University)
Analysis of Local Bond-Orientational Order for Liquid Gallium at Ambient Pressure

58 Cheng-You Liu (National Taiwan University)
Ab Initio Studies of Double Perovskites Sc2FeCrO6 for High Efficient Ferroelectric Photovoltaics

59 Sung Beom Cho (Hanyang University)
Band Engineering in a Van Der Waals Heterostructure Using a 2D Polar Material and a Capping Layer

60 Emi Minamitani (The University of Tokyo)
DFT+NRG Study of Competition Between Kondo Effect and Spin-Orbit Interaction in a Single Molecule

61 Kunchala Ramesh Babu (National Taiwan University)
Ab Initio Study of Magnetic and Electronic Structure of Gd2Te3

62 Yoshihiro Ueda (Tokyo University of Science)
Secondary Electron Emission from Graphene on Substrate with Time-Dependent Density Functional Theory

63 Christian Crisostomo (National Sun Yat-Sen University)
Chemically-Induced Large-Gap Quantum Anomalous Hall Insulator States in III-Bi Honeycombs

64 Darwin Putungan (University of the Philippines Los Banos)
A First-Principles Examination of Conducting Monolayer 1T’   -MX2 (M = Mo, W; X = S, Se, Te): Promising Catalysts for the Hydrogen Evolution Reaction and its Enhancement by Strain

65 Hyun-Jung Kim (Korea Institute for Advanced Study (KIAS))
Interlayer Interaction and Phase Stability in Bulk MoTe2 and WTe2: A Van Der Waals Density Functional Study

66 Ravi Trivedi (Birla Institute of Technology and Science, Pilani)
Study of Adsorption and Dissociation Pathway of H2 Molecule On MgnRh (N =1-10) Clusters: A First Principle Investigation