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JinukMoon/README.md

Jinuk Moon

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PhD candidate at Seoul National University (CCEL, Prof. Jeong Woo Han) and Presidential Science Scholar. I study catalysis and energy phenomena and build AI-driven simulation — machine-learning interatomic potentials, knowledge distillation, and generative models — to bridge the long-standing gap between theory and experiment.

Research

  • Why — conventional simulation (DFT, MD) leaves a wide gap with experiment; AI can close it
  • What — electrocatalysis (OER · HER · CER), single-atom catalysis, energy-conversion materials
  • How — MLIP development & distillation, generative models, ML-accelerated DFT/MD, high-throughput screening

Publications

Including these, 6 first-author and 5 co-author papers. Full list → Google Scholar · jinukmoon.github.io/publications

Toolkit

Python PyTorch VASP ASE LAMMPS MLIPs SLURM

Connect

Website · CV · Google Scholar · LinkedIn · jumoon@snu.ac.kr

Off-screen: tennis, squash, and coffee chats — always open to research collaborations.


Contribution activity graph Contribution snake

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  1. CatBench CatBench Public

    CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions

    Python 60 3

  2. oh-my-mlip oh-my-mlip Public

    Take the pain out of installing and running machine-learning interatomic potentials: every major MLIP in one registry, set up, verified and run by your LLM.

    Python 3

  3. agent-skills agent-skills Public

    AI agent skills for research and everyday life — built for Claude Code, core scripts LLM-agnostic.

    Python 3