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A sparse Bayesian Committee Machine potential for oxygen-containing organic compounds File

Willow, Soohaeng Yoo , Kim, Seungwon , Yang, D. ChangMo , Ha, Miran , Hajibabaei, Amir , Yang, Jung Woon , Kim, Kwang S. , Myung, Chang Woo

Article Issue Date2025-06 View292

A universal screening strategy for the accelerated design of superior oxygen evolution/reduction electrocatalysts File

Kim, Dong Yeon , Ha, Miran , Kim, Kwang S.

Article Issue Date2021-02 View84

Adsorption of Carbon Tetrahalides on Coronene and Graphene File

Ha, Miran , Kim, Dong Yeon , Li, Nannan , Madridesjos, Jenica Marie L. , Park, In Kee , Youn, Il Seung , Lee, Joonho , Baig, Chunggi , Filatov, Michael , Min, Seung Kyu , et al

Article Issue Date2017-07 View123

Al-Doping Driven Suppression of Capacity and Voltage Fadings in 4d-Element Containing Li-Ion-Battery Cathode Materials: Machine Learning and Density Functional Theory File

Ha, Miran , Hajibabaei, Amir , Kim, Dong Yeon , Singh, Aditya Narayan , Yun, Jeonghun , Myung, Chang Woo , Kim, Kwang S.

Article Issue Date2022-08 View211

Boron and Nitrogen Bridged Mn Single-Atom Catalyst for Highly Efficient Nitrogen Electroreduction to Ammonia File

Choi, Hansaem , Sultan, Siraj , Zafari, Mohammed , Yoon, Aram , Lee, Hojeong , Ha, Miran , Jeong, Beomgyun , Ju, Hyungkuk , Yoon, Hyung Chul , Kim, Kwang S. , et al

Article Issue Date2025-11 View33

Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives File

Myung, Chang Woo , Hajibabaei, Amir , Cha, Ji-Hyun , Ha, Miran , Kim, Junu , Kim, Kwang S.

Article Issue Date2022-12 View192

Computation-aided design of oxygen-ligand-steered single-atom catalysts: Sewing unzipped carbon nanotubes File

Kim, Dong Yeon , Jeong, Da Sol , Thangavel, Pandiarajan , Ha, Miran , Hwang, Hyuntae , Park, Yoo-Jong , Shin, Tae Joo , Seo, Dong-Hwa , Shin, Hyeon Suk , Kim, Kwang S.

Article Issue Date2023-11 View175

Dual-curable isocyanate crosslinking agents blocked by methacrylate-functionalized pyrazoles with lower curing temperature File

Kim, Soeun , Hong, Jun Ui , Ha, Miran , Noh, Seung Man

Article Issue Date2021-12 View106

Effect of isocyanate crosslinkers blocked with amine derivatives on rheological and crosslinking characteristics of automotive clearcoats File

June, Young-Gun , Jung, Kevin Injoe , Lee, Tae Hee , Ha, Miran , Noh, Seung Man , Jung, Hyun Wook

Article Issue Date2021-02 View90

Engineering Pt Coordination Environment with Atomically Dispersed Transition Metal Sites Toward Superior Hydrogen Evolution File

Jin, Haiyan , Ha, Miran , Kim, Min Gyu , Lee, Jong Hoon , Kim, Kwang S.

Article Issue Date2023-03 View157

Fast atomic structure optimization with on-the-fly sparse Gaussian process potentials * File

Hajibabaei, Amir , Umer, Muhammad , Anand, Rohit , Ha, Miran , Kim, Kwang S.

Article Issue Date2022-06 View146

First-Principles Calculation for Surface Chemistry of Electrocatalysts File File

Ha, Miran

Thesis Issue Date2021-02 View85

Graphene-nanoplatelets-supported NiFe-MOF: high-efficiency and ultra-stable oxygen electrodes for sustained alkaline anion exchange membrane water electrolysis File

Thangavel, Pandiarajan , Ha, Miran , Kumaraguru, Shanmugasundaram , Meena, Abhishek , Singh, Aditya Narayan , Harzandi, Ahmad M. , Kim, Kwang S.

Article Issue Date2020-10 View186

High-Performance Hydrogen Evolution by Ru Single Atoms and Nitrided-Ru Nanoparticles Implanted on N-Doped Graphitic Sheet File

Tiwari, Jitendra N. , Harzandi, Ahmad M. , Ha, Miran , Sultan, Siraj , Myung, Chang Woo , Park, Hyo Ju , Kim, Dong Yeon , Thangavel, Pandiarajan , Singh, Aditya Narayan , Sharma, Pankaj , et al

Article Issue Date2019-07 View162

High-Performing Atomic Electrocatalyst for Chlorine Evolution Reaction File

Ha, Miran , Thangavel, Pandiarajan , Dang, Ngoc Kim , Kim, Dong Yeon , Sultan, Siraj , Lee, Jae Sung , Kim, Kwang S.

Article Issue Date2023-05 View172

Immiscible bi-metal single-atoms driven synthesis of electrocatalysts having superb mass-activity and durability File

Harzandi, Ahmad M. , Shadman, Sahar , Ha, Miran , Myung, Chang Woo , Kim, Dong Yeon , Park, Hyo Ju , Sultan, Siraj , Noh, Woo-Suk , Lee, Wanggeun , Thangavel, Pandiarajan , et al

Article Issue Date2020-08 View176

Intramolecular deformation of zeotype-borogermanate toward a three-dimensional porous germanium anode for high-rate lithium storage File

Yoon, Taeseung , Song, Gyujin , Harzandi, Ahmad M. , Ha, Miran , Choi, Sungho , Shadman, Sahar , Ryu, Jaegeon , Bok, Taesoo , Park, Soojin , Kim, Kwang S.

Article Issue Date2018-09 View171

Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic Pathways File

Anand, Rohit , Nissimagoudar, Arun S. , Umer, Muhammad , Ha, Miran , Zafari, Mohammad , Umer, Sohaib , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2021-12 View219

Machine learning assisted high-throughput screening of transition metal single atom based superb hydrogen evolution electrocatalysts File

Umer, Muhammad , Umer, Sohaib , Zafari, Mohammad , Ha, Miran , Anand, Rohit , Hajibabaei, Amir , Abbas, Ather , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2022-03 View103

Machine Learning of First-Principles Force-Fields for Alkane and Polyene Hydrocarbons File

Hajibabaei, Amir , Ha, Miran , Pourasad, Saeed , Kim, Junu , Kim, Kwang S.

Article Issue Date2021-10 View115

Modulation of Cu and Rh single-atoms and nanoparticles for high-performance hydrogen evolution activity in acidic media File

Sultan, Siraj , Diorizky, Muhammad Hanif , Ha, Miran , Tiwari, Jitendra N. , Choi, Hansaem , Dang, Ngoc Kim , Thangavel, Pandiarajan , Lee, Jong Hoon , Jeong, Hu Young , Shin, Hyeon Suk , et al

Article Issue Date2021-03 View114

Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity File

Tiwari, Jitendra N. , Sultan, Siraj , Myung, Chang Woo , Yoon, Taeseung , Li, Nannan , Ha, Miran , Harzandi, Ahmad M. , Park, Hyo Ju , Kim, Dong Yeon , Chandrasekara, S. Selva , et al

Article Issue Date2018-09 View162

Progress in Single/Multi Atoms and 2D-Nanomaterials for Electro/Photocatalytic Nitrogen Reduction: Experimental, Computational and Machine Leaning Developments File

Singh, Aditya Narayan , Anand, Rohit , Zafari, Mohammad , Ha, Miran , Kim, Kwang S.

Article Issue Date2024-07 View157

Pt-like hydrogen evolution on a V2O5/Ni(OH)(2) electrocatalyst File

Meena, Abhishek , Ha, Miran , Chandrasekaran, S. Selva , Sultan, Siraj , Thangavel, Pandiarajan , Harzandi, AhmadM. , Singh, Bhupendra , Tiwari, Jitendra N. , Kim, Kwang S.

Article Issue Date2019-07 View120

Reactivity and Curing Efficiency of Isocyanate Cross-Linkers with Imidazole-Based Blocking Agents for Low-Temperature Curing of Automotive Clearcoats File File

Choi, Moonhyun , Kim, Maeng Gi , Jung, Kevin Injoe , Lee, Tae Hee , Ha, Miran , Hyung, Woochan , Jung, Hyun Wook , Noh, Seung Man

Article Issue Date2020-10 View134

Reduced Potential Barrier of Sodium-Substituted Disordered Rocksalt Cathode for Oxygen Evolution Electrocatalysts File

Singh, Aditya Narayan , Hajibabaei, Amir , Ha, Miran , Meena, Abhishek , Kim, Hyun-Seok , Bathula, Chinna , Nam, Kyung-Wan

Article Issue Date2023-01 View137

Simple and Scalable Mechanochemical Synthesis of Noble Metal Catalysts with Single Atoms toward Highly Efficient Hydrogen Evolution File

Jin, Haiyan , Sultan, Siraj , Ha, Miran , Tiwari, Jitendra N. , Kim, Min Gyu , Kim, Kwang S.

Article Issue Date2020-06 View117

Single Atoms and Clusters Based Nanomaterials for Hydrogen Evolution, Oxygen Evolution Reactions, and Full Water Splitting File

Sultan, Siraj , Tiwari, Jitendra N. , Singh, Aditya Narayan , Zhumagali, Shynggys , Ha, Miran , Myung, Chang Woo , Thangavel, Pandiarajan , Kim, Kwang S.

Article Issue Date2019-06 View136

Single-atom catalysts supported on a hybrid structure of boron nitride/graphene for efficient nitrogen fixation via synergistic interfacial interactions File

Zafari, Mohammad , Anand, Rohit , Nissimagoudar, Arun S. , Ha, Miran , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2024-01 View134

Size-dependent conformational change in halogen-pi interaction: from benzene to graphene File

Kim, Dong Yeon , Madridejos, Jenica Marie L. , Ha, Miran , Kim, Jun-Hyeong , Yang, David ChangMo , Baig, Chunggi , Kim, Kwang S.

Article Issue Date2017-06 View124

Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems File

Yoo, Soohaeng , Hajibabaei, Amir , Ha, Miran , Yang, David ChangMo , Myung, Chang Woo , Min, Seung Kyu , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2024-12 View154

Sparse Gaussian Process Regression-Based Machine Learned First-Principles Force-Fields for Saturated, Olefinic, and Aromatic Hydrocarbons File File

Ha, Miran , Hajibabaei, Amir , Pourasad, Saeed , Kim, Kwang S.

Article Issue Date2022-05 View93

Superb water splitting activity of the electrocatalyst Fe3Co(PO4)(4) designed with computation aid File

Sultan, Siraj , Ha, Miran , Kim, Dong Yeon , Tiwari, Jitendra N. , Myung, Chang Woo , Meena, Abhishek , Shin, Tae Joo , Chae, Keun Hwa , Kim, Kwang S.

Article Issue Date2019-11 View130

Tuning metal single atoms embedded in NxCy moieties toward high-performance electrocatalysis File File

Ha, Miran , Kim, Dong Yeon , Umer, Muhammad , Gladkikh, Vladislav , Myung, Chang Woo , Kim, Kwang S.

Article Issue Date2021-06 View190

Unveiling a Surface Electronic Descriptor for Fe–Co Mixing Enhanced the Stability and Efficiency of Perovskite Oxygen Evolution Electrocatalysts File

Kim, Yongchul , Ha, Miran , Anand, Rohit , Zafari, Mohammad , Baik, Jeong Min , Park, Hyesung , Lee, Geunsik

Article Issue Date2022-12 View137

Unveiling the Role of Charge Transfer in Enhanced Electrochemical Nitrogen Fixation at Single-Atom Catalysts on BX Sheets (X = As, P, Sb) File

Zafari, Mohammad , Umer, Muhammad , Nissimagoudar, Arun S. , Anand, Rohit , Ha, Miran , Umer, Sohaib , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2022-05 View102

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