Shinyoung Park

Last updated: 2025-09-18 More about me

s.y.park@kaist.ac.kr / View CV as PDF

Korea Advanced Institute of Science and Technology (KAIST)

Daejeon, Korea

B.S. in Chemistry

Expected February 2026

• GPA: 4.27/4.30

Intelligent Chemistry Lab – KAIST Department of Chemistry

Daejeon, Korea

Undergraduate researcher with Prof. Woo Youn Kim

2022 – Present

Developed the AutoCG package for generating input reactant/product conformations for a wide range of interpolation transition state (TS) search methods.
- Devised a novel stereochemical manipulation technique to obtain low-energy TS structures.
- Validated AutoCG with Gaussian and ORCA across three benchmark sets, comprising 32 reactions.
- Drafted and revised the manuscript published in J. Chem. Theory Comput. titled Facilitating Transition State Search with Minimal Conformational Sampling Using Reaction Graph.
Developed MetalloGen, an automated tool for generating 3D conformers of organometallic complexes with challenging polydentate and polyhapto ligands.
- Proposed solutions for polyhapto ligand embedding and conformer refinement.
- Benchmarked MetalloGen with CREST and Gaussian on 80 organometallic complexes from diverse transition metal reactions and real-world catalytic mechanisms.
- Drafted the majority of the manuscript, currently submitted.
Extended capabilities of ACE-Reaction, a graph-theoretic reaction network exploration method, as part of the Undergraduate Research Program.
- Proposed and implemented an atom mapping scheme for unbalanced reactions using mixed-integer linear programming with SciPy.
- Developed an autoregressive message passing neural network with PyTorch Geometric for sampling reactions within a defined activation barrier.
- Optimized HPC resource allocation of ACE-Reaction; reduced TS search computing cost by 20–30%.

National Science & Engineering Scholarship

2023 – 2024

Ministry of Science and ICT, Korea
• National award for top academic performance in STEM fields; full tuition for two years.

Dean's List

Spring 2020, Spring 2022, Fall 2022, Spring 2023, Fall 2023

KAIST

Programming and other Languages

Python, MATLAB, JavaScript, LaTeX, Markdown

Libraries

NumPy, SciPy, Matplotlib, RDKit, Plotly, PyTorch, PyTorch Geometric, scikit-learn

Developer Tools

Git, Bash, SSH, SLURM, Vim/Neovim, VS Code, JupyterLab, GitHub, GitHub Pages

Chemistry Tools

Gaussian, ORCA, MOPAC, xTB, CREST, ChemDraw, Avogadro, PyMOL, Mnova

Graphic Design Tools

Adobe Photoshop, Adobe Illustrator

English Proficiency

GRE: Verbal (170, 99%), Quantitative (170, 92%), Analytical Writing (4.5, 83%)
TOEFL: 116 (Reading: 30, Listening: 30, Speaking: 28, Writing: 28)

KAIST Department of Chemistry Student Council

Daejeon, Korea

Head of the Internationalization Team

Aug 2023 – Feb 2024

Member of the Design Team and the Academic Affairs Team

Mar 2022 – Aug 2023

Founded the Internationalization Team to support international students and compiled
‘A Guide to the Department of Chemistry’, a comprehensive English-language resource featuring essential information, curated links, and practical guidance.
Supported international students by translating Korean announcements and documents into English and providing Korean-English interpretation at departmental events.
Designed promotional materials, including pamphlets highlighting Department of Chemistry labs and their research for prospective undergraduate and graduate students.
Coordinated the 2022 KAIST Chemie Camp, where high school students nationwide were invited to explore and experience cutting-edge chemistry research and education at KAIST.

Lee, K.^†; Lee, J.^†; Park, S.^†; Kim, W. Y. Facilitating Transition State Search with Minimal Conformational Sampling Using Reaction Graph. J. Chem. Theory Comput. 2025, 21 (5), 2487–2500. DOI: 10.1021/acs.jctc.4c01692 (^†Equal contribution)
Lee, K.; Park, S.; Park, M.; Kim, W. Y. MetalloGen: Automated 3D Conformer Generation for Diverse Coordination Complexes. Submitted.