Scale-Aware Graph-Based Machine Learning for Accurate Molecular Property Prediction

Authors: Na, Gyoung S., Woo Kim, Hyun, Chang, Hyunju

Source: 2020 IEEE International Conference on Big Data (Big Data) Big Data (Big Data), 2020 IEEE International Conference on. :196-203 Dec, 2020

Relation: 2020 IEEE International Conference on Big Data (Big Data)

Closed-loop optimization of catalysts for oxidative propane dehydrogenation with CO2 using artificial intelligence

Authors: Kim, Jin-Soo, Chung, Iljun, Oh, Jungmok, Park, Jisu, Yun, Yongju, Shin, Jungho, Kim, Hyun Woo, Chang, Hyunju

Source: In Journal of CO2 Utilization December 2023 78

Nonlinearity encoding to improve extrapolation capabilities for unobserved physical statesElectronic supplementary information (ESI) available. See DOI: 10.1039/d1cp04450h

Authors: Na, Gyoung S., Jang, Seunghun, Chang, Hyunju

Source: Physical chemistry chemical physics. 24(3):1300-1304

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100140058964.0x000001&indx=1&recIds=ETOCvdc_100140058964.0x000001

Electrochemical Transparency of Graphene

Authors: Jeong, Du Won, Kim, Kyuhyoung, Lee, Geonhee, Kang, Minsoung, Chang, Hyunju, Jang, A-Rang, Lee, Jeong-O

Source: ACS nano. 16(6):9278-9286

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN629676398&indx=1&recIds=ETOCRN629676398

Reducing the high hydrogen binding strength of vanadium carbide MXene with atomic Pt confinement for high activity toward HER

Authors: Park, Seungyoung, Lee, Yea-Lee, Yoon, Yeoheung, Park, Se Yeon, Yim, Soonmin, Song, Wooseok, Myung, Sung, Lee, Kug-Seung, Chang, Hyunju, Lee, Sun Sook, An, Ki-Seok

Source: In Applied Catalysis B: Environment and Energy May 2022 304

Ag2S nanoparticles decorated graphene as a selective chemical sensor for acetone working at room temperature

Authors: Jang, A-Rang, Lim, Ji Eun, Jang, Seunghun, Kang, Myung Hyun, Lee, Geonhee, Chang, Hyunju, Kim, EunKyoung, Park, Joung Kyu, Lee, Jeong-O.

Source: In Applied Surface Science 1 October 2021 562

Reaction condition optimization for non-oxidative conversion of methane using artificial intelligenceElectronic supplementary information (ESI) available. See DOI: 10.1039/d0re00378f

Authors: Kim, Hyun Woo, Lee, Sung Woo, Na, Gyoung S., Han, Seung Ju, Kim, Seok Ki, Shin, Jung Ho, Chang, Hyunju, Kim, Yong Tae

Source: Reaction chemistry & engineering. 6(2):235-243

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Ultrathin Copper Monosulfide Films for an Optically Semitransparent, Highly Selective Ammonia Chemosensor.

Authors: Cho, Donghwi, Lee, Geonhee, Lee, Yea-Lee, Cho, Ara, Lee, Sunwoo, Kim, Gun Hee, Park, Gana, Jang, Sojeong, Choi, Myungwoo, Shim, Young-Seok, Chang, Hyunju, Jang, A-Rang, Lee, Kwangjae, Lee, Jeong-O

Source: ACS Applied Materials & Interfaces; 11/6/2024, Vol. 16 Issue 44, p60530-60540, 11p

Data-Driven Development of Heterogeneous Catalysts for Propane Dehydrogenation with Machine Learning and Metaheuristic Optimization.

Authors: Oh, Jungmok, Lee, Junho, Park, Jisu, Jeon, Namgi, Na, Gyoung S., Chang, Hyunju, Huh, Joonsuk, Kim, Hyun Woo, Yun, Yongju

Source: ACS Materials Letters; 11/4/2024, Vol. 6 Issue 11, p5138-5145, 8p

Enhanced catalytic performance and changed reaction chemistry for electrochemical glycerol oxidation by atomic-layer-deposited Pt-nanoparticle catalysts

Authors: Han, Jisu, Kim, Youngmin, Jackson, David H.K., Chang, Hyunju, Kim, Hyun Woo, Lee, Jechan, Kim, Jeong-Rang, Noh, Yuseong, Kim, Won Bae, Lee, Kwan-Young, Kim, Hyung Ju ^*

Source: In Applied Catalysis B: Environment and Energy 15 September 2020 273

TEXplorer.org: Thermoelectric material properties data platform for experimental and first-principles calculation results

Authors: Lee, Yea-Lee, Lee, Hyungseok, Jang, Seunghun, Shin, Jeongho, Kim, Taeshik, Byun, Sejin, Chung, In, Im, Jino, Chang, Hyunju

Source: APL materials. 11(4)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100180709834.0x000001&indx=1&recIds=ETOCvdc_100180709834.0x000001

In situ electrochemically synthesized Pt-MoO3−x nanostructure catalysts for efficient hydrogen evolution reaction

Authors: Lee, Daewon, Kim, Youngmin, Kim, Hyun Woo, Choi, Min, Park, Noejung, Chang, Hyunju, Kwon, Youngkook, Park, Jong Hyeok, Kim, Hyung Ju

Source: In Journal of Catalysis January 2020 381:1-13

Tunable piezoelectric nanogenerators using flexoelectricity of well-ordered hollow 2D MoS2 shells arrays for energy harvesting

Authors: Han, Jin Kyu, Kim, Sungho, Jang, Seunghun, Lim, Yi Rang, Kim, Sang-Woo, Chang, Hyunju, Song, Wooseok, Lee, Sun Sook, Lim, Jongsun, An, Ki-Seok, Myung, Sung

Source: In Nano Energy July 2019 61:471-477

Costless Performance Improvement in Machine Learning for Graph-Based Molecular Analysis

Authors: Na, Gyoung S., Kim, Hyun Woo, Chang, Hyunju

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 60(3):1137-1145

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Atomic-layer-deposited SnO2 on Pt/C prevents sintering of Pt nanoparticles and affects the reaction chemistry for the electrocatalytic glycerol oxidation reactionElectronic supplementary information (ESI) available: Additional HAADF-STEM and SEM images along with the corresponding EDS elemental mapping images, TEM results with particle size distribution analysis, XRD spectra, EXAFS fitting results, electrochemical surface area measurements, electrochemical performance analyses, DFT calculation results, electrocatalytic GOR technology scheme, and comparison with recent results (Fig. S1–S12, Scheme S1, and Tables S1–S3). See DOI: 10.1039/d0ta02509g

Authors: Lee, Daewon, Kim, Youngmin, Han, Hyunsu, Kim, Won Bae, Chang, Hyunju, Chung, Taek-Mo, Han, Jeong Hwan, Kim, Hyun Woo, Kim, Hyung Ju

Source: Journal of materials chemistry.A. 8(31):15992-16005

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100110242684.0x000001&indx=1&recIds=ETOCvdc_100110242684.0x000001

Machine-guided representation for accurate graph-based molecular machine learningElectronic supplementary information (ESI) available. See DOI: 10.1039/d0cp02709j

Authors: Na, Gyoung S., Chang, Hyunju, Kim, Hyun Woo

Source: Physical chemistry chemical physics. 22(33):18526-18535

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100108101265.0x000001&indx=1&recIds=ETOCvdc_100108101265.0x000001

Applying Machine Learning Algorithms to Predict Potential Energies and Atomic Forces during C-H Activation

Authors: Lee, Seunghee, Kim, Hyun Woo, Im, Jino, Kim, Seok Ki, Kim, Yong Tae, Chang, Hyunju, Ko, Tae-Wook, Lee, Jonggul, Hyon, YunKyong

Source: Journal of the Korean Physical Society. 77(8):680-688

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100180433209.0x000001&indx=1&recIds=ETOCvdc_100180433209.0x000001

High Glass Transition Temperature Fluorinated Polymers Based on Transfer Learning with Small Experimental Data.

Authors: Yang, Jin‐Hoon¹, Lee, Jiyoung², Kwon, Hajin², Sohn, Eun‐Ho², Chang, Hyunju¹, Jang, Seunghun¹, jang@krict.re.kr

Source: Macromolecular Rapid Communications; Aug2024, Vol. 45 Issue 15, p1-10, 10p

Room Temperature Reduction of Nitrogen Oxide on Iron Metal–Organic Frameworks.

Authors: Daturi, Marco, Blasin‐Aubé, Vanessa, Yoon, Ji Wong, Bazin, Philippe, Vimont, Alexandre, Chang, Jong‐San, Hwang, Young Kyu, Seo, You‐Kyong, Jang, Seunghun, Chang, Hyunju, Wuttke, Stefan, Horcajada, Patricia, Haneda, Masaaki, Serre, Christian

Source: Advanced Materials; Aug2024, Vol. 36 Issue 31, p1-9, 9p

Catalyst Discovery for Propane Dehydrogenation through Interpretable Machine Learning: Leveraging Laboratory-Scale Database and Atomic Properties.

Authors: Park, Jisu, Oh, Jungmok, Kim, Jin-Soo, Shin, Jung Ho, Jeon, Namgi, Chang, Hyunju, Yun, Yongju

Source: ACS Sustainable Chemistry & Engineering; 7/15/2024, Vol. 12 Issue 28, p10376-10386, 11p