Materials.AI

I'm Hyunsoo Park.

I'm a postdoc researcher in Prof. Aron Walsh's team at Imperial College London. I received my PhD degree at KAIST, under guidance of Prof. Jihan Kim. During my PhD, I have the privilege of working with Prof. Berend Smit at EPFL as a visiting researcher.

I have strong interests in developing computational tools intergrating AI for materials design, including structure-property relationship, inverse design, and high-throughput screening.
Feel free to explore my Github profile!

🌟 Latest Highlights

Machine Learning

Molecular Simulation

Modeling various materials including MXene, MO2C, graphene, MOF, and high-entropy alloy with DFT simulations by collaborating with experimental groups

Material design

Publications 📚


2024
16. Park, H., Onwuli, A. and Walsh, A. Exploration of crystal chemical space using text-guided generative artificial intelligence ChemRxiv (2024).

15. Park, H., Li, Z. and Walsh, A. Has generative artificial intelligence solved inverse materials design? Matter. 7, 2355-2367 (2024).

14. Park, H., Ouwuli, A., Butler, K. and Walsh, A. Mapping inorganic crystal chemical space. Faraday Discussion (2024).

13. Han, S., Kang, Y., Park, H., Yi, J., Park, G., and Kim, J. Multimodal Transformer for Property Prediction in Polymers . ACS Applied Materials & Interfaces. 16, 16853-16860 (2024).

12. Park, H.*, Majumdar, S.*, Zhang, X., Kim, J., and Smit, B. Inverse Design of Metal-Organic Frameworks for Direct Air Capture of CO2 via Deep Reinforcement Learning. Digital Discovery. 4 (2024).

2023
11. Park, H.*, Kang, Y.*, and Kim, J. Enhancing Structure–Property Relationships in Porous Materials through Transfer Learning and Cross-Material Few-Shot Learning . ACS Applied Materials & Interfaces. 15, 56375-56385 (2023)

10. Kang, Y.*, Park, H.*, Smit, B., and Kim, J. A Multi-modal Pre-training Transformer for Universal Transfer Learning in Metal-Organic Frameworks. Nature Machine Intelligence. 5, 309-318 (2023).

2022
9. Choi, J., Chacon B., Park, H., Hantanasirisakul, K., Kim, T., Shevchuk, K., Lee, J., Hohyung Kang, Cho, S., Kim, J., Gogotsi, Y., Kim, S., and Jung, H. N–p-Conductor Transition of Gas Sensing Behaviors in Mo2CTx MXene. ACS Sensors. 8, 2225-2234 (2022).

8. Park, H.*, Kang, Y.*, Choe, W., and Kim, J. Mining Insights on Metal-Organic Framework Synthesis from Scientific Literature Texts. Journal of Chemical Information and Modeling. 62, 1190-1198 (2022).

2021
7. Jung, W., Park, H., Jang, J., Kim, D., Kim, D., Lim, E., Kim, J., Choi, S., Suk, J., and Kang, Y. Polyelemental Nanoparticles as Catalysts for a Li–O2 Battery. ACS nano. 15, 4235-4244 (2021).

6. Park, H., Kwon, O., and Kim, J. Computational Identification of Connected MOF@ COF Materials. The Journal of Physical Chemistry C. 125, 5897-5903 (2021).

5. Park, H., Lee, S., and Kim, J. Deep learning-based initial guess for minimum energy path calculations. Korean Journal of Chemical Engineering. 38, 406-410 (2021).

2020
4. Cho, H., Hyeon, S., Park, H., Kim, J., and Cho, E.S. Ultrathin Magnesium Nanosheet for Improved Hydrogen Storage with Fishbone Shaped One-Dimensional Carbon Matrix. ACS Applied Energy Materials. 3, 8143-8149 (2020).

3. Wu, M.*, Kim, J.*, Park, H.*, Kim, D., Cho, K., Lim, E., Chae, O., Choi, S., Kang, Y., and Kim, J. Understanding Reaction Pathways in High Dielectric Electrolytes Using β-Mo2C as a Catalyst for Li–CO2 Batteries. ACS Applied Materials & Interfaces. 12, 32633-32641 (2020).

2019
2. Wu, M., Park, H., Cho, K., Kim, J., Kim, S., Choi, S., Kang, Y., Kim, J., and Jung, H. Formation of toroidal Li2O2 in non-aqueous Li–O2 batteries with Mo2CTx MXene/CNT composite. RSC Advances. 9, 41120-41125 (2019).

1. Kwon, O., Kim, J., Park, S., Lee, J., Ha, J., Park, H., Moon, H., and Kim, J. Computer-aided discovery of connected metal-organic frameworks. Nature communications. 10, 1-8 (2019).

Contact Me

Please email me at hpark@ic.ac.uk