Biofuel purification: Coupling experimental and theoretical investigations for efficient separation of phenol from aromatics by zeolites
Khalil, Ibrahim, Jabraoui, Hicham, Lebègue, Sébastien, Kim, Won June, Aguilera, Luis-Jacobo, Thomas, Karine, Maugé, Françoise, Badawi, Michael
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.12.2020)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.12.2020)
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Journal Article
First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on ( 101̄1)[1̄012] Compression Twinning Deformation Processes
Won June Kim, Kyeong Hwan Han, Young Joo Lee, Hyungjun Kim, Eok Kyun Lee
Published in Metals and materials international (01.07.2018)
Published in Metals and materials international (01.07.2018)
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Journal Article
Benchmarking the performance of approximate van der Waals methods for the structural and energetic properties of SiO 2 and AlPO 4 frameworks
Fischer, Michael, Kim, Won June, Badawi, Michael, Lebègue, Sébastien
Published in The Journal of chemical physics (07.03.2019)
Published in The Journal of chemical physics (07.03.2019)
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Journal Article
PROFiT-Net: Property-Networking Deep Learning Model for Materials
Kim, Se-Jun, Kim, Won June, Kim, Changho, Lee, Eok Kyun, Kim, Hyungjun
Published in Journal of the American Chemical Society (25.09.2024)
Published in Journal of the American Chemical Society (25.09.2024)
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Journal Article
uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding
Kim, Minho, Kim, Won June, Gould, Timothy, Lee, Eok Kyun, Lebègue, Sébastien, Kim, Hyungjun
Published in Journal of the American Chemical Society (05.02.2020)
Published in Journal of the American Chemical Society (05.02.2020)
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Journal Article
Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction
Kim, Kang-Sahn, Kim, Won June, Lim, Hyung-Kyu, Lee, Eok Kyun, Kim, Hyungjun
Published in ACS catalysis (01.07.2016)
Published in ACS catalysis (01.07.2016)
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Journal Article
Electro-synthesis of Ammonia from Dilute Nitric Oxide on a Gas Diffusion Electrode
Cheon, Seonjeong, Kim, Won June, Kim, Dong Yeon, Kwon, Youngkook, Han, Jong-In
Published in ACS energy letters (11.03.2022)
Published in ACS energy letters (11.03.2022)
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Journal Article
Adsorption mechanisms of fatty acids on fluorite unraveled by infrared spectroscopy and first-principles calculations
Foucaud, Yann, Lainé, Juliette, Filippov, Lev O., Barrès, Odile, Kim, Won June, Filippova, Inna V., Pastore, Mariachiara, Lebègue, Sébastien, Badawi, Michael
Published in Journal of colloid and interface science (01.02.2021)
Published in Journal of colloid and interface science (01.02.2021)
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Journal Article
MolNet_Equi: A Chemically Intuitive, Rotation-Equivariant Graph Neural Network
Kim, Jihoo, Jeong, Yoonho, Kim, Won June, Lee, Eok Kyun, Choi, Insung S
Published in Chemistry, an Asian journal (02.01.2024)
Published in Chemistry, an Asian journal (02.01.2024)
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Journal Article
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions
Claudot, Julien, Kim, Won June, Dixit, Anant, Kim, Hyungjun, Gould, Tim, Rocca, Dario, Lebègue, Sébastien
Published in The Journal of chemical physics (14.02.2018)
Published in The Journal of chemical physics (14.02.2018)
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Journal Article
MolNet: A Chemically Intuitive Graph Neural Network for Prediction of Molecular Properties
Kim, Yeji, Jeong, Yoonho, Kim, Jihoo, Lee, Eok Kyun, Kim, Won June, Choi, Insung S.
Published in Chemistry, an Asian journal (15.08.2022)
Published in Chemistry, an Asian journal (15.08.2022)
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Journal Article
Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe16N2 and its alloys: comparison with the other L10 alloys
Han, Myung Hoon, Kim, Won June, Lee, Eok Kyun, Kim, Hyungjun, Lebègue, Sébastien, Kozak, John J
Published in Journal of physics. Condensed matter (2020)
Published in Journal of physics. Condensed matter (2020)
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Journal Article
Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe 16 N 2 and its alloys: comparison with the other L1 0 alloys
Han, Myung Hoon, Kim, Won June, Lee, Eok Kyun, Kim, Hyungjun, Lebègue, Sébastien, Kozak, John J
Published in Journal of physics. Condensed matter (16.01.2020)
Published in Journal of physics. Condensed matter (16.01.2020)
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Journal Article
Gold(I)–Thiolate Coordination Polymers as Multifunctional Materials: The Case of Au(I)– p -Fluorothiophenolate
Vaidya, Shefali, Hawila, Saly, Zeyu, Fan, Khan, Tuhin, Fateeva, Alexandra, Toche, François, Chiriac, Rodica, Bonhommé, Anne, Ledoux, Gilles, Lebègue, Sébastien, Park, Jeongmin, Kim, Won June, Liu, Juejing, Guo, Xiaofeng, Mesbah, Adel, Horike, Satoshi, Demessence, Aude
Published in ACS applied materials & interfaces (23.04.2024)
Published in ACS applied materials & interfaces (23.04.2024)
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Journal Article
Rotational Variance‐Based Data Augmentation in 3D Graph Convolutional Network
Kim, Jihoo, Kim, Yeji, Lee, Eok Kyun, Chae, Chong Hak, Lee, Kwangho, Kim, Won June, Choi, Insung S.
Published in Chemistry, an Asian journal (20.09.2021)
Published in Chemistry, an Asian journal (20.09.2021)
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Journal Article
First-Principles Study of the α–β Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways
Kim, Won June, Han, Myung Hoon, Shin, Young-Han, Kim, Hyungjun, Lee, Eok Kyun
Published in The journal of physical chemistry. B (31.03.2016)
Published in The journal of physical chemistry. B (31.03.2016)
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Journal Article