Mapping inorganic crystal chemical space
Mapping Inorganic Crystal Chemical Space
Faraday Discussion (2024)
Postdoctoral Researcher in Imperial College London
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!
Mapping inorganic crystal chemical space
Faraday Discussion (2024)
Developing a reinforcement learning framework for inverse design of Metal-Organic Frameworks
Developing a machine learning model to enable transfer learning in porous materials
ACS Applied Materials & Interfaces (2023)
Developing a Transformer neural network for universal transfer learning of MOFs
Nature Machine Intelligence (2023)
Developing a joint machine-learning/rule-based algorithm to automatically extract synthesis conditions from MOF papers and predict synthesizability
Journal of Chemical Information and Modeling (2022)
Developing a autoencoer neural network to improve initial guess of minimum energy path
Korean Journal of Chemical Engineering (2020)
Modeling various materials including MXene, MO2C, graphene, MOF, and high-entropy alloy with DFT simulations by collaborating with experimental groups
ACS Applied Materials & Interfaces (2020)
ACS Nano (2021)
ACS Sensors (2022)
DFT simulation to calculate strain energy of interfacial stability for MOF@MOF structures
Nature Communications (2019)
High-through screening that uses MOFs as substrates in order to thoeretically allow hetero-epitaxial growth of 3D COFs
journal of Physical Chemistry C (2021)
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).
Please email me at hpark@ic.ac.uk