People

Current lab members.

Principal Investigator

Ji Woong Yu

Ji Woong Yu

유지웅

Assistant Professor

School of Frontier SciencesDepartment of ChemistryAjou University

Education

Ph.D., Chemical and Biological Engineering

2016 – 2022

Seoul National University

Advisor: Prof. Won Bo Lee

B.S., Chemical Engineering (Summa Cum Laude)

2012 – 2016

Chung-Ang University

GPA: 4.31 / 4.50

Experience

Assistant Professor

2026 – present

Ajou University

School of Frontier Sciences

Department of Chemistry

AI Research Fellow

2023 – 2026

Korea Institute for Advanced Study (KIAS)

Center for AI and Natural Sciences

Advisor: Prof. Changbong Hyeon

Postdoctoral Research Fellow

2022 – 2023

Seoul National University

Department of Chemical and Biological Engineering

Awards

Young WATOC Scholar

Selected for World Association of Theoretical and Computational Chemists, Oslo 2025

Dongjin Outstanding Paper Award

Seoul National University, 2022

Summa Cum Laude

Chung-Ang University, 2016

Technical Skills

Molecular SimulationLAMMPS, GROMACS, HOOMD-blue
First-Principles CalculationVASP, CP2K, Quantum ESPRESSO, Gaussian, PySCF
Machine-Learned PotentialsDeePMD-kit, MACE, NequIP, JAX-MD
VisualizationVMD, OVITO
ProgrammingPython, C++, JAX, CUDA, OpenMP/MPI
InfrastructurePBS, SGE, Slurm, Docker

Professional Activities

  • American Physical Society (APS)
  • American Chemical Society (ACS)
  • International Centre for Multiscale Simulations (ICMS)
  • World Association of Theoretical and Computational Chemists (WATOC)

Lab Members

New members will be announced soon.