Hyukjun Lim

Researcher in AI for Chemistry

Advancing knowledge in Chemistry through innovative research using AI, collaborative partnerships, and academic excellence.

About Me

Hi, I'm Hyukjun Lim, a senior student at Seoul National University majoring in Materials Science and Engineering, and pursuing Interdisciplinary Major in Artificial Intelligence.

I have a deep passion for integrating Artificial Intelligence with Chemistry to solve challenging problems in the field. I aim to develop innovative AI-driven solutions to advance chemical discovery and engineering.

Throughout my career, I have published 2 peer-reviewed papers, 2 workshop papers, and collaborated with leading institutions worldwide. My research has been recognized through various awards and grants.

Research Interests

Artificial IntelligenceComputational ChemistryMolecular Modeling
Hyukjun Lim

Hyukjun Lim

Researcher in AI for Chemistry

Seoul National University

Latest News

Accepted in NeurIPS 2025 FPI Workshop
Publication
September 23, 2025
Accepted in NeurIPS 2025 AI4Mat Workshop
Publication
September 21, 2025
Accepted in ISMP 2025
Publication
September 11, 2025
Accepted in ICLR 2025
Publication
January 23, 2025

Education

B.S. in Materials Science and Engineering & Artificial Intelligence

Seoul National University

March 2022 - Anticipated February 2026

GPA: 4.10/4.3

Publications

*Equal contribution
GAP: Guided Diffusion for A Priori Transition State Sampling

Hyukjun Lim*, Soojung Yang*, Lucas Pinede, Miguel Steiner, Yuanqi Du, Rafael Gómez-Bombarelli

NeurIPS Workshop on Frontiers in Probabilistic Inference, 2025

Guided diffusion framework for a priori sampling of transition states in molecular systems.

FORK: First-Order Relational Knowledge Distillation for Machine Learning Interatomic Potentials

Hyukjun Lim, Seokhyun Choung, Jeong Woo Han

NeurIPS Workshop on AI for Accelerated Materials Design, 2025

First-order relational knowledge distillation approach for improving machine learning interatomic potentials.

Real-Time Prediction of TSV Thermal Fatigue Reliability in HBM Using FEA-Guided U-Net-Based Deep Learning Framework

Hyukjun Lim, Joonseok Bang, Chanhyung Lee, Junhyeong Park, Juhyeong Shin, Hyeongseo Kim, Myoung-Gyu Lee

International Symposium on Microelectronics and Packaging (ISMP), 2025

Oral PresentationPresenter

Deep learning framework for real-time prediction of thermal fatigue reliability in high-bandwidth memory using FEA-guided U-Net architecture.

CheapNet: Cross-attention on Hierarchical representations for Efficient protein-ligand binding Affinity Prediction

Hyukjun Lim, Sun Kim, Sangseon Lee

ICLR, 2025

Efficient protein-ligand binding affinity prediction using cross-attention on hierarchical representations.

Curriculum Vitae

Highlights

  • • 2 peer-reviewed papers
  • • 2 workshop papers
  • • $31,500 scholarship received
  • • 2 years of teaching experience

Recent Awards

  • • Excellence Award, Deep Learning-based Product Recognition AI Competition (2025)
  • • Scholarship, Kwanjeong Educational Foundation (2024)

Get In Touch

Contact Me!