Showing results 1 to 22 of 22
Accelerated mapping of electronic density of states patterns of metallic nanoparticles via machine-learning Bang, Kihoon; Yeo, Byung Chul; Kim, Donghun; Han, Sang Soo; Lee, Hyuck-Mo, SCIENTIFIC REPORTS, v.11, no.1, 2021-06 |
Au-Ti Bimetallic Nanoparticle as CO oxidation catalysts: Computational Approach Bang, Kihoon; Shin, Kihyun; Ryu, Myungshin; Kwon, Soonho; Lee, Hyuck-Mo, 2016 Joint Symposium on the MSE for the 21st Century, POSTECH, 2016-08-29 |
Catalytic activity of the Au-Ti bimetallic nanoparticles on TiO2 support for CO oxidation: DFT study Bang, Kihoon; Shin, Ki-Hyun; Ryu, Myungshin; SOON HO, KWON; Lee, Hyuck-Mo, The 15th Korea-Japan Symposium on catalysis, Division of Catalysis and Reaction Engineering, The Korean Institute of Chemical Engineers, 2015-05-26 |
Chemisorption in Bimetallic NP/TiO2 Catalsyt: DFT Study and Machine Learning Bang, Kihoon; Shin, Kihyun; Kwon, Soonho; Lee, Hyuck-Mo, ENGE2016 (Electronic Materials and Nanotechnology for Green Environment), 대한금속재료학회, 2016-11-08 |
Chemisorption on bimetallic NP-TiO2 for CO oxidation catalyst: first principle and machine learning modeling Bang, Kihoon; Lee, Hyuck-Mo, The 16th Korea-Japan Symposium on catalysis, Division of Catalysis and Reaction Engineering, The Korean Institute of Chemical Engineers, 2017-05-15 |
CO oxidation by MoS2-supported Au-19 nanoparticles: effects of vacancy formation and tensile strain Kwon, Soonho; Shin, Kihyun; Bang, Kihoon; Kim, Hyun You; Lee, Hyuck-Mo, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.19, pp.13232 - 13238, 2016-05 |
CO Oxidation On MoS2- Au Catalyst: Vacancy Formation and Tensile Strain Effects Kwon, Soonho; Shin, Kihyun; Bang, Kihoon; Lee, Hyuck-Mo, The 4th International Symposium on Hybrid Materials and Processing, GLOBAL FRONTIER R&D Center for Hybrid Interface Materials, 2017-11-06 |
DFT Study of Au-Ti Bimetallic Nanoparticle on TiO2 Support as Highly Active CO Oxidation Catalysts Bang, Kihoon; Shin, Kihyun; Ryu, Myungshin; Kwon, Soonho; Lee, Hyuck Mo, 2016 TMS annual meeting (145th), The Minerals, Metals & Materials Society, 2016-02-17 |
Glass Transition Temperature and Phase Diagrams of Butadiene Rubber and Styrene Butadiene Rubber: Molecular Dynamics Simulation Bang, Kihoon; Ryu, Myung Shin; Kim, Hyung Gyu; Kim, Hyun You; Lee, Hyuck-Mo, 46th CALPHAD, 46th CALPHAD, 2017-06-12 |
Interpretable Deep Learning Model for Analyzing the Relationship between the Electronic Structure and Chemisorption Property Hong, Doosun; Oh, Jaehoon; Bang, Kihoon; Kwon, Soonho; Yun, Se-Young; Lee, Hyuck Mo, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.13, no.37, pp.8628 - 8634, 2022-09 |
Lead-free Perovskite Solar Cells: High-throughput Screening and DFT Calculation Bang, Kihoon; Park, Youngtae; Lee, Hyuck-Mo, 5th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE 2018), The Korean Institute of Metals and Materials, 2018-11-11 |
Machine learning assisted synthesis of lithium-ion batteries cathode materials Liow, Chi Hao; Kang, Hyeonmuk; Kim, Seunggu; Na, Moony; Lee, Yongju; Baucour, Arthur; Bang, Kihoon; et al, NANO ENERGY, v.98, 2022-07 |
Machine learning based catalytic property prediction of metal nanoparticles = 머신러닝 기반 금속나노입자 촉매 성능 예측link Bang, Kihoon; Lee, Hyuck Mo; et al, 한국과학기술원, 2020 |
Machine learning filters out efficient electrocatalysts in the massive ternary alloy space for fuel cells Park, Youngtae; Hwang, Chang-Kyu; Bang, Kihoon; Hong, Doosun; Nam, Hyobin; Kwon, Soonho; Yeo, Byung Chul; et al, APPLIED CATALYSIS B-ENVIRONMENTAL, v.339, 2023-12 |
Machine Learning Prediction of Electronic Density of States of Nanoparticles Bang, Kihoon; Yeo, Byung Chul; Hong, Doosun; Kim, Donghun; Han, Sang Soo; Lee, Hyuck-Mo, The 5th International Conference on Molecular Simulation, The Korean Institute of Metals and Materials, Korea Institute of Science and Technology, 2019-11-04 |
Machine Learning-Enabled Exploration of the Electrochemical Stability of Real-Scale Metallic Nanoparticles Bang, Kihoon; Hong, Doosun; Park, Youngtae; Kim, Donghun; Han, Sang Soo; Lee, Hyuck-Mo, NATURE COMMUNICATIONS, v.14, no.1, 2023-05 |
Predicting Electronic Density of States of Nanoparticles by Principal Component Analysis and Crystal Graph Convolutional Neural Network Bang, Kihoon; Yeo, Byung Chul; Hong, Doosun; Kim, Donghun; Han, Sang Soo; Lee, Hyuck-Mo, TMS 2020 Annual Meeting & Exhibition, The Minerals, Metals & Materials Society, 2020-02-24 |
Recent Progress in First Principle Calculation and High-Throughput Screening of Electrocatalysts: A Review Lee, Changsoo; Bang, Kihoon; Hong, Doosun; Lee, Hyuck Mo, KOREAN JOURNAL OF METALS AND MATERIALS, v.57, no.1, pp.1 - 9, 2019-01 |
Reducing Time to Discovery: Materials and Molecular Modeling, Imaging, Informatics, and Integration Hong, Seungbum; Liow, Chi Hao; Yuk, Jong Min; Byon, Hye Ryung; Yang, Yongsoo; Cho, EunAe; Yeom, Jiwon; et al, ACS NANO, v.15, no.3, pp.3971 - 3995, 2021-02 |
Study on the catalytic activity of Au-Ti bimetallic nanoparticle on $TiO_2$ support for CO oxidation through DFT method = 밀도범함수 이론을 이용한 이산화티타늄 지지체에 지지된 금-티타늄 이원계 금속 나노입자의 촉매활성 연구link Bang, Kihoon; 방기훈; et al, 한국과학기술원, 2016 |
Synthesis of Chemically Ordered Pt3Fe/C Intermetallic Electrocatalysts for Oxygen Reduction Reaction with Enhanced Activity and Durability via a Removable Carbon Coating Jung, Chanwon; Lee, Changsoo; Bang, Kihoon; Lim, JeongHoon; Lee, Hoin; Ryu, Ho Jin; Cho, Eun Ae; et al, ACS APPLIED MATERIALS & INTERFACES, v.9, no.37, pp.31806 - 31815, 2017-09 |
Titanium-promoted Au-Ti bimetallic nanoparticle catalysts for CO oxidation: A theoretical approach Bang, Kihoon; Shin, Kihyun; Ryu, Myungshin; Kwon, Soonho; Lee, Hyuck Mo, CATALYSIS TODAY, v.265, pp.14 - 18, 2016-05 |
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