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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 View267

Active sparse Bayesian committee machine potential for isothermal-isobaric molecular dynamics simulations File

Willow, Soohaeng Yoo , Kim, Dong Geon , Sundheep, R. , Hajibabaei, Amir , Kim, Kwang S. , Myung, Chang Woo

Article Issue Date2024-07 View243

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 View190

Anisotropic and amphoteric characteristics of diverse carbenes File

Kim, Dong Yeon , Yang, D. ChangMo , Madridejos, Jenica Marie L. , Hajibabaei, Amir , Baig, Chunggi , Kim, Kwang S.

Article Issue Date2018-05 View161

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 View176

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 View130

First-order and continuous melting transitions in two-dimensional Lennard-Jones systems and repulsive disks File

Hajibabaei, Amir , Kim, Kwang S.

Article Issue Date2019-02 View71

Graphene and Graphene Analogs toward Optical, Electronic, Spintronic, Green-Chemical, Energy-Material, Sensing, and Medical Applications File

Rezapour, M. Reza , Myung, Chang Woo , Yun, Jeonghun , Ghassami, Amirreza , Li, Nannan , Yu, Seong Uk , Hajibabaei, Amir , Park, Youngsin , Kim, Kwang S.

Article Issue Date2017-07 View110

Highly Efficient Pure-Blue Perovskite Light-Emitting Diode Leveraging CsPbBrxCl3-x/Cs4PbBrxCl6-x Nanocomposite Emissive Layer with Shallow Valence Band File

Choi, In Young , Baek, Sung-Doo , Takaloo, Ashkan Vakilipour , Lee, Seung Yong , Hajibabaei, Amir , Kim, Kwang S. , Myoung, Jae-Min

Article Issue Date2022-03 View111

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 View92

Machine Learning for Predicting the Band Gaps of ABX(3) Perovskites from Elemental Properties File

Gladkikh, Vladislav , Kim, Dong Yeon , Hajibabaei, Amir , Jana, Atanu , Myung, Chang Woo , Kim, Kwang S.

Article Issue Date2020-04 View119

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 View105

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 View121

Remarkably Enhanced Lattice Oxygen Participation in Perovskites to Boost Oxygen Evolution Reaction File File

Singh, Aditya Narayan , Hajibabaei, Amir , Diorizky, Muhammad Hanif , Ba, Qiankai , Nam, Kyung-Wan

Article Issue Date2023-03 View85

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 View131

Sparse Gaussian process potentials: Application to lithium diffusivity in superionic conducting solid electrolytes File

Hajibabaei, Amir , Myung, Chang Woo , Kim, Kwang S.

Article Issue Date2021-06 View152

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 View86

Supra-Binary Polarization in a Ferroelectric Nanowire File

Xu, Wentao , Wang, Lihua , Yang, David ChangMo , Hajibabaei, Amir , Lee, Yeongjun , Park, Cheolmin , Lee, Tae-Woo , Kim, Kwang S.

Article Issue Date2021-07 View119

Two Liquid-Liquid Phase Transitions in Confined Water Nanofilms File

Pourasad, Saeed , Hajibabaei, Amir , Myung, Chang Woo , Kim, Kwang S.

Article Issue Date2021-05 View121

Universal Machine Learning Interatomic Potentials: Surveying Solid Electrolytes File

Hajibabaei, Amir , Kim, Kwang S.

Article Issue Date2021-08 View202

Unleashing the Potential of Sodium-Ion Batteries: Current State and Future Directions for Sustainable Energy Storage File

Singh, Aditya Narayan , Islam, Mobinul , Meena, Abhishek , Faizan, Muhammad , Han, Daseul , Bathula, Chinna , Hajibabaei, Amir , Anand, Rohit , Nam, Kyung-Wan

Article Issue Date2023-11 View102

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