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He is a Fellow of the Korea Academy of Science and Technology. He has been an Editorial Board Member of the Journal of Physical Chemistry (A, B, C), Journal of Molecular Structure: THEOCHEM, Journal of Computational Chemistry, and Chemistry An Asian Journal. He has been a Conference Board Member of the World Association of Theoretically Oriented Chemistry and the Asian Pacific Association of Theoretical and Computational Chemistry. His fields of research include investigations of density functional theory, ab initio calculations, nonequilibrium Green function theory, Monte Carlo and molecular dynamics simulations, first principles ground and excited-state molecular dynamics simulations, intermolecular interactions, clusters, molecular recognition, receptors, drug design, bioinformatics, biomolecules, nanomaterials, molecular devices, spintronics, and quantum computing.
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SUSTAINABILITYno. 1 (2024): 179
Materialsno. 1 (2024): 67
ANGEWANDTE CHEMIE-INTERNATIONAL EDITIONno. 15 (2024): e202400270-e202400270
NEW JOURNAL OF CHEMISTRYno. 11 (2024): 4670-4674
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