Dong Yeon Kim

Research Interests 

- High-throughput computational screening of energy materials

- Knowledge-driven Ab initio calculations for new chemical insights into material

- Data-driven modeling for smart material discovery with artificial intelligence

- Inverse design for ultra-high performance devices via machine learning and first-principles calculation

Research experience

Korea Advanced Institute of Science and Technology(KAIST), , Daejeon, Republic of Korea

Post.Doc., Computational Materials Design & Discovery Lab (CMDD) (July. 2023 ~)

Ulsan National Institute of Science and Technology (UNIST), Ulsan, Republic of Korea

Post.Doc., Computational Energy Materials Science Lab (CEMS) (Mar. 2021 ~ July. 2023)

Korea Research Institute of Chemical Technology (KRICT), Ulsan, Republic of Korea

Research Student, R&D Center for Green Fine Chemicals (Jan. 2016 ~ Sep. 2016)

Education

- Ulsan National Institute of Science and Technology (UNIST), Ulsan, Republic of Korea

Ph.D., Department of Chemistry (Feb. 2018 ~ Feb. 2021, advisor: Prof. Kwang S. Kim)

M.S., Department of Chemical Engineering (Mar. 2015 ~ Feb. 2018, advisor: Prof. Chunggi Baig)

B.S., Department of Chemical Engineering (Mar. 2011 ~ Feb. 2015)

Honors and Awards 

- Best Poster Presentation, KECS (2023)

- Best Poster Presentation, ENGE2022 (International Conference) (2022)

- Excellent paper Award, KIEEME (2021)

-  LS Group Award, UNIST Commencement Ceremony, LS Group (2021)

-  27th Samsung Humantech Paper Award (Bronze), SAMSUNG (2021)

-  26th Samsung Humantech Paper Award (Encouragement), SAMSUNG (2020)

-  Excellent Paper Award, KISTI (2019)

-  Excellent Team Presentation Award, 15th KIAS-APCTP Winter School, KIAS-APCTP (2018)

-  Global Ph.D. Fellowship, NRF-MOE (2018~2021)

Research Funding

- Research Staff Program (Creative and Challenging Research)

23.06~24.05 (70M KRW), NRF-MOE

- 5th Supercomputer R&D Innovation Support Program

23.05~24.04 (worth 35M KRW), KISTI

22.09~23.08 (worth 20M KRW), KISTI

22.01~22.12 (worth 30M KRW), KISTI

21.05~22.04 (worth 14M KRW), KISTI

Selected Publications

1. D. Jeon,† D.Y. Kim,‡ H. Kim,† N. Kim, C. Lee, D.H. Seo, J. Ryu , "Electrochemical Evolution of Ru-based Polyoxometalates into Si,W-codoped RuOx for Acidic Overall Water Splitting. ", Adv. Mater., 36, 2304468 (2024) 

2. D. Y. Kim,‡ D. S. Jeong,‡ P. Thangavel, M. Ha, H. Hwang, Y.-J. Park, T. J. Shin, D.-H. Seo, H. S. Shin, K. S. Kim, “Computation-aided design of oxygen-ligand-steered single atom catalysts: sewing unzipped carbon nanotubes”, Chem, 9, 3304-3318 (2023), Highlighted in nature synthesis

3. S. Cho ,‡ D. Y. Kim,‡ J.-I. Lee, J. Kang, H. Lee, G. Kim, D.-H. Seo, S. Park, “Highly Reversible Lithium Host Materials for High-Energy-Density Anode-Free Lithium Metal Batteries”, Adv. Funct. Mater., 32, 2208629 (2022)

4. M. Ha ,‡ D. Y. Kim,‡ M. Umer,‡ V. Gladkikh, C. W. Myung, K. S. Kim, “Tuning metal single atoms embedded in NxCy moieties toward high-performance electrocatalysis”, Energy Environ. Sci., 14, 3455-3468 (2021),  Cover highlighted

5. D. Y. Kim, M. Ha, K. S. Kim, “A universal screening strategy for the accelerated design of superior oxygen evolution/reduction electrocatalysts”, J. Mater. Chem. A, 9, 3511-3519 (2021)

6. S. Sultan,‡ M. Ha,‡ D. Y. Kim,‡ J. N. Tiwari, C. W. Myung, A. Meena, T. J. Shin, K. H. Chae, K. S. Kim, “Superb water splitting activity of the electrocatalyst Fe3Co(PO4)4 designed with computation aid”, Nature Commun., 10, 5195 (2019)

7. D. Y. Kim, ‡ T. Yoon, ‡ Y. J. Jang,‡ J. H. Lee, Y. Na, B. J. Lee, J. S. Lee*, K. S. Kim*, “Band Gap Narrowing of Zinc Orthogermanate by Dimensional and Defect Modification”, J Phys. Chem. C, 123, 14573-14581 (2019), Cover highlighted

8. D. Y. Kim,‡ D. C. Yang,‡ J. M. L. Madridejos, A. Hajibabaei, C. Baig, K. S. Kim, “Anisotropic and amphoteric characteristics of diverse carbenes”, Phys. Chem. Chem. Phys., 20, 13722 (2018), Cover highlighted

9. D. Y. Kim, J. M. L. Madridejos, M. Ha, J.-H. Kim, D. C. Yang, C. Baig, K. S. Kim “Size-dependent conformational change in halogen–π interaction: from benzene to graphene”, Chem. Commun., 53, 6140-6143 (2017)

‡equally contributed

Full Publications

Google Scholar: scholar.google.co.kr/citations?user=MXdPJW8AAAAJ&hl=ko