Hyukjun Lim
I build AI methods for chemical discovery: machine-learning interatomic potentials, reaction-condition prediction, and molecular binding.
- First-year M.S./Ph.D. student, Chemical and Biological Engineering
- Seoul National University
- Yousung Jung
- AI for chemistry
About
I’m a first-year M.S./Ph.D. student in Chemical and Biological Engineering at Seoul National University, advised by Yousung Jung.
My work integrates artificial intelligence with chemistry: developing AI-driven methods that accelerate chemical discovery and engineering, from interatomic potentials to reaction-condition prediction.
To date, two peer-reviewed papers and three workshop papers, written with collaborators at SNU, POSTECH and MIT.
Machine-learning interatomic potentials, reaction-condition prediction, protein–ligand binding, and materials discovery.

News
Education
M.S./Ph.D. in Chemical and Biological Engineering
Seoul National University — PI: Yousung Jung
GPA 4.0 / 4.3
B.S. in Materials Science and Engineering & Artificial Intelligence
Seoul National University
GPA 4.09 / 4.3
Summa Cum Laude, ranked 3/67 in the department
Publications
Hyukjun Lim, Yousung Jung
ICML Workshop on AI for Science
Hyukjun Lim*, Seokhyun Choung*, Jinuk Moon, Jeong Woo Han
npj Computational Materials
Hyukjun Lim*, Soojung Yang*, Lucas Pinede*, Miguel Steiner, Yuanqi Du, Rafael Gómez-Bombarelli
NeurIPS Workshop on Frontiers in Probabilistic Inference
Hyukjun Lim, Sun Kim, Sangseon Lee
ICLR
Curriculum vitae
Download CVTwo years of mentoring experience, teaching undergraduate students in machine learning and computational chemistry.
Contact
Open to collaborations, questions about the work, and conversations about AI for chemistry.