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 |
이노기 |
성균관대 |
Tuning Self-Assembled Monolayers for Trap-Free Exciton Dissociation in Tungsten Diselenide Bilayers |
30 |
이동건 |
성균관대 |
Prediction of accurate enough k-point samplings using machine learning |
31 |
이룡규 |
KAIST |
DeepSCF: Deep Convolutional Network Learning of Self-consistent Electron Density |
32 |
이문원 |
충남대 |
Molecular Dynamics Simulation of Sodium Deposition on Carbon-based Hosts Using Machine-learned Potentials |
33 |
이수현 |
연세대 |
Automated Active Region Selection in Multi-level Calculations Using Density Sensitivity |
34 |
이승엽 |
성균관대 |
Comparison Study of SiC Polymorphs Using Density Functional Theory |
35 |
이영준 |
경희대 |
Momentum-resolved modeling of size-dependent resistivity in anisotropic metallic thin films |
36 |
이정무 |
전남대 |
Active Learning Configuration Interaction Approach for Multiorbital Impurity Systems |
37 |
이정원 |
KAIST |
Density Functional Effective Mass Approximation Calculations of 2D Halide Perovskite Nanoplatelets |
38 |
이주현 |
경북대 |
Strain-direction selectivity of electronic and magnetic phases in La0.75Ca0.25MnO3 |
39 |
이철희 |
성균관대 |
Strain-Driven Higher-Order Topological Dirac Semimetal in Noncentrosymmetric γ‑GeSe |
40 |
이형우 |
인하대 |
The effect of pressure on the physical properties of NV center in diamond |
41 |
임수임 |
서강대 |
Unveiling the effects of Alkali Defects at the CIGS/Buffer Layer via First-Principles Study |
42 |
정다믈 |
경희대 |
Resolving Theory-Experiment Discrepancies in Bismuth’s Topology and Optical Properties via an Extended Hubbard Model |
43 |
정민수 |
KAIST |
First-principles study of asymmetric electrical characteristics in graphene-based molecular junction |
44 |
정연우 |
서울대 |
Automated Atomistic Simulations by Multi Agent System |
45 |
정원지 |
충남대 |
Octahedral Features and Their Impact on Photovoltaic Properties in Thin-Film Inorganic Solar Absorber |
46 |
정의석 |
UNIST |
Current-driven symmetry breakings and consequent spin-orbit polarizations of screw-symmetric chiral wire |
47 |
정진영 |
연세대 |
A Halogen-Based Dataset for Building Chemical Reaction Foundation Model |
48 |
정찬영 |
KAIST |
First-principles Study on the Kondo Resonance of a Self-assembled Ni-HHTP on Au(111) |
49 |
정태영 |
KIST |
Effective Parameter Extraction for Vacancy-mediated Diffusion from Ab Initio Molecular Dynamics |
50 |
조윤화 |
인하대 |
First-principles calculation of native point defects in CaO |
51 |
조현성 |
서울대 |
Revealing H Diffusion Mechanism in IGZO System through Machine Learning Interatomic Potential |
52 |
주하리 |
KIST |
Water effect on CO2 capture and diffusion in bare and functionalized Mg-MOF-74 analogs, using Machine Learning Potential. |
53 |
최민철 |
숭실대 |
First principles study of dielectric properties of ferroelectric perovskite oxides with extended Hubbard interactions |
54 |
최성재 |
강원대 |
Phase transition of CoPS3 under pressure |
55 |
최준영 |
숭실대 |
Thermodynamic analysis of the Ti-O-H System based on DFT calculations for oxygen control in Titanium |
56 |
최홍석 |
고려대 |
Altermagnetism in orthorhombic NaOsO3 |
57 |
황승우 |
서울대 |
Discovering Oxide Solid Electrolytes with Corner-sharing Framework Using Crystal Structure Prediction |
58 |
Gbenga T. Oyeniyi |
경북대 |
Magnetostriction and spin polarization properties in superperiodic Janus twisted bilayer graphenes |
59 |
Haleem Ud Din |
조선대 |
First principles study of flat electronic bands in 2D Silicate Monolayers |
60 |
Indukuru Ramesh Reddy |
경북대 |
A comparative analysis of methods for calculating Hubbard parameters using Crpa |