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제21회 고등과학원 전자구조계산 학회 포스터세션
Board No. 성명 소속 Title
1 강신영 KAIST Quantum Computing Based Design of Multivariate Porous Materials
2 강신영 KAIST Inverse Design of Metal-Organic Framework using Quantum Natural Language Processing
3 김대헌 GIST THz 펄스를 활용한 2D SnTe 전기분극 조절 및 데이터 저장 시스템 구축
4 김도현 KIST Structural and Electronic Properties of Oxygen-Deficient TaOx (x=2~2.5) with γ~anatase and B~rutile Phases
5 김상완 경희대 Adatoms simulation in black phosphorus with DFT-informed adatom interaction
6 김선우 연세대 Enhancing Adsorption Energies Predictions on Transition-Metal Surfaces with Density- and Dispersion-Corrected DFT
7 김성민 부경대 Band Gap Engineering of Graphene Kirigami Superlattice
8 김세훈 연세대 Analyzing Density-Driven Errors: Defining the Limits of Approximation
9 김슬비 경희대 Pressure-Induced Magnetic and Spin-State Transitions in the 2D vdW Material CrSBr
10 김영삼 연세대 Reducing Basis Set Errors in Density- and Dispersion-Corrected Density Functional Theory
11 김윤재 KIST Comparison of Switching Mechanisms in Ferroelectric Wurtzite AlN
12 김태웅 전남대 Machine Learning-Based Bath Initialization for Dynamical Mean-Field Theory in Layered Perovskite Structures
13 김한별 GIST Simulating IR-induced Ferroelectricity in SrTiO₃ and EuTiO₃
14 김형렬 경희대 Generalized First-Principles Evaluation of Dzyaloshinskii–Moriya Interaction in Self-Intercalated Cr1+δTe2
15 문지호 KAIST Thermoelectric-driven triboelectric charge transfer
16 박선호 경희대 First-Principles Study of Proximity-Induced Spin Effects from Carbon-Related Defects in Graphene/hBN Heterostructures
17 박세연 경북대 Anisotropic Multi-centered Polarons in BiVO4
18 박소희 경희대 Generalized Momentum Sum Rule as the Origin of Multiple Charge Density Wave Transitions
19 백승일 KAIST Three band understanding of strain-driven direct-to-indirect band gap transition in MoS2
20 송지훈 경희대 First-Principles Study of Polarization-Modulated Oxygen Diffusion and Magnetic Anisotropy at the Co/HfO₂ Interface
21 신동윤 KIST Flexible Hofmann-Type Metal-Organic Frameworks for Xe Storage: Machine Learning Potential-Based Molecular Dynamics Approach
22 신지예 연세대 Extending HF-DFT to Dipole Moments of Linear Molecules
23 신홍식 성균관대 Flat Mid-Gap States at Domain Walls of 3D Stiefel–Whitney Insulators
24 안세령 경북대 First-principles study on small polaron and Li diffusion in layered LiCoO2
25 유승우 경희대 Ab Initio Thermodynamic Investigation of Charge-Dependent Transition Temperature in Titanium
26 유진무 서울대 Multi-fidelity Training Strategies for Enhancing the Cross-Domain Applicability of Machine-Learning Interatomic Potentials
27 윤승재 KIST Semimetallic Transition Metal Telluride Contacts for p-type Te-Channel Thin Film Transistors
28 이나영 성균관대 Density Functional Theory understanding of intrinsic defects and acceptor dopants in NiO
29 이동건 성균관대 Prediction of accurate enough k-point samplings using machine learning
30 이룡규 KAIST DeepSCF: Deep Convolutional Network Learning of Self-consistent Electron Density
31 이문원 충남대 Molecular Dynamics Simulation of Sodium Deposition on Carbon-based Hosts Using Machine-learned Potentials
32 이수현 연세대 Automated Active Region Selection in Multi-level Calculations Using Density Sensitivity
33 이승엽 성균관대 Comparison Study of SiC Polymorphs Using Density Functional Theory
34 이영준 경희대 Momentum-resolved modeling of size-dependent resistivity in anisotropic metallic thin films
35 이정무 전남대 Active Learning Configuration Interaction Approach for Multiorbital Impurity Systems
36 이정원 KAIST Density Functional Effective Mass Approximation Calculations of 2D Halide Perovskite Nanoplatelets
37 이주현 경북대 Strain-direction selectivity of electronic and magnetic phases in La0.75Ca0.25MnO3
38 정다믈 경희대 Resolving Theory-Experiment Discrepancies in Bismuth’s Topology and Optical Properties via an Extended Hubbard Model
39 정민수 KAIST First-principles study of asymmetric electrical characteristics in graphene-based molecular junction
40 정연우 서울대 Automated Atomistic Simulations by Multi Agent System
41 정원지 충남대 Octahedral Features and Their Impact on Photovoltaic Properties in Thin-Film Inorganic Solar Absorber
42 정진영 연세대 A Halogen-Based Dataset for Building Chemical Reaction Foundation Model
43 정찬영 KAIST First-principles Study on the Kondo Resonance of a Self-assembled Ni-HHTP on Au(111)
44 정태영 KIST Effective Parameter Extraction for Vacancy-mediated Diffusion from Ab Initio Molecular Dynamics
45 조윤화 인하대 First-principles calculation of native point defects in CaO
46 조현성 서울대 Revealing H Diffusion Mechanism in IGZO System through Machine Learning Interatomic Potential
47 주하리 KIST Water effect on CO2 capture and diffusion in bare and functionalized Mg-MOF-74 analogs, using Machine Learning Potential.
48 최민철 숭실대 First principles study of dielectric properties of ferroelectric perovskite oxides with extended Hubbard interactions
49 최성재 강원대 Phase transition of CoPS3 under pressure
50 최준영 숭실대 Thermodynamic analysis of the Ti-O-H System based on DFT calculations for oxygen control in Titanium
51 최홍석 고려대 Altermagnetism in orthorhombic NaOsO3
52 황승우 서울대 Discovering Oxide Solid Electrolytes with Corner-sharing Framework Using Crystal Structure Prediction
53 황재진 부산대 First-principles study of Surface Reconstruction and Depolarization Mechanisms induced by oxygen vacancies on Ferroelectric BaTiO3 (001) Surface
54 Gbenga T. Oyeniyi 경북대 Magnetostriction and spin polarization properties in superperiodic Janus twisted bilayer graphenes
55 Indukuru Ramesh Reddy 경북대 A comparative analysis of methods for calculating Hubbard parameters using Crpa