2025
MaTableGPT: GPT-Based Table Data Extractor from Materials Science Literature
GH Yi+, J Choi+, H Song+, O Miano, J Choi, K Bang, B Lee, SS Sohn, D Buttler, A Hiszpanski*, SS Han*, D Kim*
Advanced Science 12, 2408221 (2025)
Selected as a Back Cover article
#GPT, LLM, Scientific literature, Table data
Unraveling Oxygen Vacancy-Driven Catalytic Selectivity and Hot Electron Generation on Heterointerfaces Using Nanostructured Platform
GR Lee+, K Song+, D Hong+, J Ahn, Y Roh, M Kim, D Kim*, YS Jung*, JY Park*
Nature Communications 16:2909 (2025)
Featured in KAIST연구뉴스
#DFT, Methanol Oxidation
Simultaneous Enhancement of Activity and Durability of Oxygen Reduction Reaction Enabled by Pd3Mo@Pt/C Catalysts
J Yoo+, CH Chan+, SY Choi, D Hong, SY Park, K Bang, JM Kim, D Kim*, SS Han*, HM Lee*
ACS Applied Materials & Interfaces 17, 22498 (2025)
#DFT, Oxygen Reduction, Fuel Cells
2024
Discovery of Alloy Catalysts for Ammonia Decomposition by Machine Learning-Based Prediction of Adsorption Energies
BC Yeo*, SY Jeong, JS Kim, D Kim
Korean Journal of Metals and Materials 62, 920 (2024)
Enhancing Fuel Cell Durability with Heteroenergetic TaOx-Carbon Support
S Choi+, D Hong+, J Yoo, C Lee, K Bang, JM Kim, SS Han*, D Kim*, HM Lee*
ACS Energy Letters 9, 4265 (2024)
Indirect-to-direct bandgap transition in GaP semiconductors through quantum shell formation on ZnS nanocrystals
HJ Shin+, D Hong+, H Cho, H Jang, GY Kim, KM Song, GY Kim, MJ Choi*, D Kim*, YS Jung*
Nature Communications 15:8125 (2024)
Bespoke Metal Nanoparticle Synthesis at Room Temperature and Discovery of Chemical Knowledge on Nanoparticle Growth Via Autonomous Experimentations
HJ Yoo+, N Kim+, HS Lee, DH Kim, L Tiong, CS Kim, SY Lee, KY Lee*, D Kim*, SS Han*
Advanced Functional Materials 34, 2312561 (2024)
Selected as a Front Cover article
Featured in YTN,, Youtube_Shorts, 매일경제
Inverse Design for Materials Discovery from Multidimensional Electronic Density of States
K Bang+, J Kim+, D Hong+, D Kim*, SS Han*
Journal of Materials Chemistry A 12, 6004 (2024)
Machine Vision-based Detections of Transparent Chemical Vessels Toward the Safe Automations of Material Synthesis
L Tiong+, HJ Yoo+, NY Kim, KY Lee*, SS Han*, D Kim*
npj Computational Materials 10, 42 (2024)
2023
Deep Learning of Electrochemical CO2 Conversion Literature Reveals Research Trends and Directions
J Choi+, K Bang+, S Jang, JW Choi, J Ordonez, D Buttler, A Hiszpanski, TYJ Han, SS Sohn, B Lee, KR Lee, SS Han*, D Kim*
Journal of Materials Chemistry A 11, 17628 (2023)
Machine Learning Filters Out Efficient Electrocatalysts in the Massive Ternary Alloy Space for Fuel Cells
Y Park+, CK Hwang+, K Bang, D Hong, H Nam, SH Kwon, BC Yeo, D Go, J An, BK Ju, SH Kim, JY Byun, SY Lee, JM Kim*, D Kim*, SS Han*, HM Lee*
Applied Catalysis B: Environmental 339, 123128 (2023)
Predicting Failure Progressions of Structural Material via Deep Learning Based on Void Topology
L Tiong+, G Lee+, GH Yi, SS Sohn*, D Kim*
Acta Materialia 250, 118862 (2023)
Atomistic Origin of Mechanochemical NH3 Synthesis on Fe Catalysts
HW Lee+, GU Jeong+, MC Kim, D Kim*, SY Kim*, SS Han*
International Journal of Hydrogen Energy 48, 3931 (2023)
2022
소재 신(新)연구방법론
정두엽, 조유진 (원고작성: 한상수, 김동훈, 이노도)
KISTEP브리프 Vol.14 (발행기관: KISTEP 성장동력사업센터)
2021
Three-in-One Strategy to Improve both Catalytic Activity and Selectivity: Nonconcentric Pd-Au Nanoparticles
HW Lee+, E Jung+, GH Han+, MC Kim, D Kim, KY Lee*, SS Han*, T Yu*
Journal of Physical Chemistry Letters 12, 11098 (2021)
Deep Learning-Based Prediction of Material Properties Using Chemical Compositions and Diffraction Patterns as Experimentally Accessible Inputs
J Kim+, L Tiong+, D Kim*, SS Han*
Journal of Physical Chemistry Letters 12, 8376 (2021)
High-Throughput Computational-Experimental Screening Protocol for the Discovery of Bimetallic Catalysts
BC Yeo+, H Nam+, H Nam, MC Kim, HW Lee, D Kim, KY Lee, SY Lee*, SS Han*
npj Computational Materials 7, 137 (2021)
AI로봇이 스스로 소재를 개발한다고?
한상수, 김동훈
융합연구리뷰 Vol.7 No.5 (발행기관: KIST 융합연구정책센터)
Accelerated Mapping of Electronic Density of State Patterns of Metallic Nanoparticles Via Machine-Learning
K Bang, BC Yeo, D Kim, SS Han*, HM Lee*
Scientific Reports 11, 11604 (2021)
Solid-Solution Alloying of Immiscible Pt and Au Boosts Catalytic Performance of H2O2 Direct Synthesis
HW Lee+, H Nam+, GH Han+, YH Cho, BC Yeo, D Kim*, KY Lee*, SY Lee*, SS Han*
Acta Materialia 205, 116563 (2021)
2020
Identification of Crystal Symmetry from Noisy Diffraction Patterns by A Shape Analysis and Deep Learning
L Tiong+, J Kim+, SS Han*, D Kim*
npj Computational Materials 6, 196 (2020)
Hydrogen Bonding-Mediated Enhancements of Bio-Inspired Electrochemical Nitrogen Reduction on Cu2-xS Catalysts
MC Kim+, HJ Nam+, JH Choi+, HS Kim, HW Lee, D Kim, J Kong, SS Han*, SY Lee*, HS Park*
ACS Catalysis 10, 10577 (2020)
Mapping Point Defects of Brookite TiO2 for Photocatalytic Activity Beyond Anatase Phase and P25
H Choi*, S Khan, M Je, D Kim, S Lee, SH Cho*, T Song*
Journal of Physical Chemistry C 124, 10376 (2020)
Self-Assembled Heterojunction of Metal Sulfides for Improved Photocatalysis
S Khan, H Choi, D Kim, SY Lee, Q Zhu, J Zhang, S Kim*, SH Cho*
Chemical Engineering Journal 395, 125092 (2020)
인공지능 기반 소재설계 연구동향
한상수, 김동훈
재료마당 Vol.33 No.1 50-65 (발행기관: 대한금속재료학회)
Artificial Intelligence to Accelerate the Discovery of N2 Electroreduction Catalysts
M Kim+, BC Yeo+, Y Park, HM Lee, SS Han*, D Kim*
Chemistry of Materials 32, 709 (2020)
2019
Electronic Structural Origin of the Catalytic Activity Trend of Transition Metals for Electrochemical Nitrogen Reduction
BC Yeo+, J Kong+, D Kim, WA Goddard III, HS Park*, SS Han*
Journal of Physical Chemistry C 123, 31026 (2019)
Suppressing Interfacial Dipoles to Minimize Open-Circuit Voltage Loss in Quantum Dot Photovoltaics
H Lim+, D Kim+, MJ Choi, EH Sargent, YS Jung*, JY Kim*
Advanced Energy Materials 9, 1901938 (2019)
Selected as a Front Cover article
Featured in 연합뉴스
Unlocking the Potential of Nanoparticles Composed of Immiscible Elements for Direct H2O2 Synthesis
D Kim+, H Nam+, YH Cho+, BC Yeo+, SH Cho, JP Ahn, KY Lee*, SY Lee*, SS Han*
ACS Catalysis 9, 8702 (2019)
Medium-Range Order in Amorphous Ices Revealed by Persistent Homology
S Hong, D Kim*
Journal of Physics: Condensed Matter 31, 455403 (2019)
Pattern Learning Electronic Density of States
BC Yeo, D Kim, CS Kim, SS Han*
Scientific Reports 9, 5879 (2019)
인공지능, 소재개발에 침투하다
한상수, 김동훈
융합연구리뷰 Vol.5 No.1 (발행기관: KIST 융합연구정책센터)
2018
Engineering the Work Function of Solution-Processed Electrodes of Silver Nanocrystal Thin Film through Surface Chemistry Modification
M Seong, H Kim, SW Lee, D Kim*, SJ Oh*
APL Materials 6, 121105 (2018)
Atomistic Sodiation Mechanism of Phosphorene-Graphene Heterostructure for Sodium-Ion Batteries Determined by First-Principles Calculations
HW Lee, H Jung, BC Yeo, D Kim, SS Han*
Journal of Physical Chemistry C 122, 20653 (2018)
빅데이터와 소재연구
김동훈, Hiroshi Mizuseki, 이광렬
소재기술백서2017 Chapter 4-1 (발행기관: 한국재료연구소)
Origins of the Stokes Shift in PbS Quantum Dots: Impact of Polydispersity, Ligands, and Defects
Y Liu+, D Kim+, OP Morris, D. Zhitomirsky, JC Grossman*
ACS Nano 12, 2838 (2018)
Featured in Advances in Engineering,, 동아사이언스
2017
β-CuGaO2 as a Strong Candidate Material for Efficient Ferroelectric Photovoltaics
S Song+, D Kim+, HM Jang*, BC Yeo, SS Han, CS Kim, JF Scott
Chemistry of Materials 29, 7596 (2017)
Impact of Mg-Doping Site Control in the Performance of Li4Ti5O12 Li-Ion Battery Anode: First-Principles Predictions and Experimental Verifications
H Cho, H Son, D Kim, M Lee, S Boateng, H Choi*, T Song*, KH Lee*
Journal of Physical Chemistry C 121, 14994 (2017)
Defect Engineering Toward Strong Photocatalysis of Nb-Doped Anatase TiO2: Computational Predictions and Experimental Verifications
S Khan, H Cho, D Kim, SS Han, KH Lee, SH Cho*, T Song*, H Choi*
Applied Catalysis B: Environmental 206, 520 (2017)
Dissimilar Anisotropy of Electron Versus Hole Bulk Transport in Anatase TiO2: Implications for Photocatalysis
D Kim, BC Yeo, D Shin, H Choi, S Kim, N Park, SS Han*
Physical Review B 95, 045209 (2017)
2016 & Before
High-Throughput Screening to Investigate the Relationship between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation
BC Yeo, D Kim, H Kim, SS Han*
Journal of Physical Chemistry C 120, 24224 (2016)
Photovoltaic Performance of PbS Quantum Dots Treated with Metal Salts
DK Ko, A Maurano, SK Suh, D Kim, GW Hwang, JC Grossman, V Bulovic*, MG Bawendi*
ACS Nano 10, 3382 (2016)
Identifying and Eliminating Emissive Sub-Bandgap States in Thin Films of PbS Nanocrystals
GW Hwang, D Kim, JM Cordero, MWB Wilson, CHM Chuang, JC Grossman, MG Bawendi*
Advanced Materials 27, 4481 (2015)
Energy Level Modification in Lead Sulfide Quantum Dot Thin Films through Ligand Exchange
PR Brown+, D Kim+, RR Lunt, N Zhao, MG Bawendi, JC Grossman*, V Bulovic*
ACS Nano 8, 5863 (2014)
Featured in MIT News, Nanowerk News
Role of Ultrathin Metal Fluoride Layer in Organic Photovoltaic Cells: Mechanism of Efficiency and Lifetime Enhancement
KG Lim, MR Choi, JH Kim, D Kim, GH Jung, Y Park*, JL Lee, TW Lee*
ChemSusChem 7, 1125 (2014)
Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots
D Kim, DH Kim, JH Lee, JC Grossman*
Physical Review Letters 110, 196802 (2013)
Featured in MIT News
Controlling Surface Enrichment in Polymeric Hole Extraction Layers to Achieve High-Efficiency Organic Photovoltaic Cells
D Kim, KG Lim, JH Park, TW Lee*
ChemSusChem 5, 2053 (2012)
Approaches Toward Efficient and Stable Electron Extraction Contact in Organic Photovoltaic Cells: Inspiration from the Organic Light-Emitting Diodes
TW Lee*, KG Lim, D Kim
Electronic Materials Letters 6, 4150 (2010)
Curvilinear Electronics Formed Using Silicon Nanomembrane Circuits and Elastomeric Transfer Elements
HC Ko, G Shin, S Wang, M Stoykovich, JW Lee, D Kim, JS Ha*, Y Huang*, KC Hwang, JA Rogers*
Small 5, 2703 (2009)
Selected as a Front Cover article