cv-data.yml

update: '2025-10-06'
name: Mingi KANG
title: Computational Chemistry & Machine Learning
github: github.com/kangmg
email: kangmg@kentech.ac.kr
blog: kangmg.github.io
show_blog: false
orcid: 0009-0003-1551-6771
research_interest: My research interests focus on understanding chemical phenomena at the microscopic 
  level through computational chemistry methodologies and accelerating these investigations using AI. 
  Based on this fundamental understanding, I aim to explore and design novel materials and catalysts.
Keywords : [Ab initio, Molecular Dynamics, ML Potential, Machine Learning, Screening, Catalyst, Materials Design]
skills:
  Computational_Chemistry:
  - 'Ab initio calculaton: Psi4, PySCF, GAMESS-US, Gaussian, ORCA, CP2K etc.'
  - 'Molecular Dynamics: OpenMM, ASE'
  - 'Modeling & Simulation: scikit-learn, pytorch, Training ML potentials'
  Scientific_Skills:
  - HPC server & scheduling e.g. PBS, SGE
  - Dataset handling (HDF5, SQL)
  - Data visualization
  Development_Skills:
  - Workflow automation
  - Python packaging & deployment
  - Git, Cloud service, API
research_experience:
- title: Bachelor's Thesis
  duration: March 2025 - Present
  lab: Lab of Ultrafast Spectroscopy, Korea University (Sejong)
  advisor: Prof. Jae Yoon Shin
  achievements:
  - Investigated dynamic behavior of ionic liquids in porous filters (Polyethersulfone
    and Anodisc)
  - Performed molecular dynamics calculations using force fields and fine-tuned ML
    potentials
  - Built simulation systems and analyzed dynamic trajectories to determine diffusion
    coefficients
- title: CURT Research Program
  duration: July 2025 - Present
  lab: Laboratory of Inorganic Chemistry, Korea University (Sejong)
  advisor: Prof. Ho-Jin Son
  achievements:
  - Studied reaction mechanisms of homogeneous transition metal catalysts using DFT
    and MLP methods
  - Computed Gibbs energy profiles through various levels of DFT
  - Developed automated job submission scripts and established workflows for Gibbs
    energy profile calculation
- title: Winter Internship
  duration: January 2025 - February 2025
  lab: The Meta Lab, KENTECH
  advisor: Prof. Geun Ho Gu
  achievements:
  - Fine-tuned universal MLP models for heterogeneous catalyst systems
  - Reproduced surface adsorption energies using MLP and compared results with DFT
- title: Project Semester
  duration: July 2024 - December 2024
  lab: Lab of Ultrafast Spectroscopy, Korea University (Sejong)
  advisor: Prof. Jae Yoon Shin
  achievements:
  - Collected and preprocessed organic molecule dataset (10K samples) using the PubChem
    API
  - Performed large-scale ab initio calculations (50K) and built normal mode perturbed
    molecular dataset
  - Fine-tuned ANI Machine Learning Potentials (MLP) to improve accuracy in transition
    state regions
  - Conducted MLP-based molecular dynamics simulations of carbon polymerizations and
    acetylene annulation reactions
  - Developed Python package for MLP-based distortion interaction analysis calculations
# - title: X-Corps Research Program
#   duration: November 2019 - April 2020
#   lab: Biomedical Nano-engineering Lab, Korea University (Sejong)
#   advisor: Prof. Gyudo Lee
#   achievements:
#   - Developed paper-based colorimetric biosensor for ethanol concentration measurement
#     and color quantification
#   - Synthesized polyaniline (PANI) nanoparticles and immobilized ADH on PANI-coated
#     paper
#   - Proposed RGB color picker method for pH prediction and studied lighting brightness
#     effect corrections
projects:
- title: Distortion Interaction Analysis
  link: ''
  duration: ''
  extra: []
  achievements:
  - Implemented ASE interfaces for distortion interaction analysis calculations
  - Enabled flexible computations and streamlined computational workflows
- title: Molecule Aligner
  link: ''
  duration: ''
  extra: []
  achievements:
  - Developed a Python package for merging, interpolating, and aligning molecular trajectories
  - Enabled construction of smooth, multi-step reaction pathways from mixed molecular inputs
- title: Molecular Visualizer
  link: ''
  duration: ''
  extra: []
  achievements:
  - Developing molecular visualization tools including ASE-native viewer aseview and
    OverlayMol
  - Supports visualization of molecular normal modes, overlay diagrams, and animations
    with publication-ready quality
- title: ASE Community Code Development
  link: ''
  duration: ''
  extra: []
  achievements:
  - Implemented ASE calculator interfaces for g-xTB, PySCF, MLatom, and XequiNet
  - Developed optimizer wrappers for asemcd and geomeTRIC to enhance integration of
    ASE-centered workflows
presentations:
- title: '-'
  event: '-'
  date: '-'
- title: '-'
  event: '-'
  date: '-'
publications:
- title: Amorphous π-Conjugated Passivator Facilitates Widening Process Window
    for Reliable Perovskite Solar Modules
  authors: H.S. Kim†, Y.Y. Kim†, H. Na†, Y.-H. Seo, S.J. Na, S. Lee, M.
    Kang, J. Jang, D. Kim, Y. Ju, S.-M. Yoo, J.Y. Park, B.J. Kang, G.H. Gu,
    T.J. Shin, J. Lee*, N.J. Jeon*, E.H. Jung*
  venue: Adv. Energy Mater.
  year: '2026'
  status: Accepted
education:
- institution: KENTECH
  duration: March 2026 - Present
  degree: Integrated M.S./Ph.D. Program
  department: Department of Energy Engineering
  advisor: Prof. Geunho Gu
- institution: Korea University (Sejong)
  duration: March 2019 - February 2026
  degree: B.S. in Advanced Material Chemistry
  gpa: 4.12 / 4.5
military_service:
  branch: Republic of Korea Army
  rank: Sergeant · Mandatory Military Service
  duration: April 2021 - October 2022
additional_activity:
  activity: Data Science Bootcamp
  duration: February 2024 - July 2024
  description: Completed a 6-month intensive course on data science and machine learning
awards_honors:
- name: Excellent Research Report Award
  institution: S-CURT Research Program, Korea University
  year: '2025'
scholarships:
- name: Chi-Woo Lee Scholarship
  institution: Korea University
  year: '2025'
  amount: KRW 5,000,000
- name: Academic Excellence Scholarship
  institution: Korea University
  year: '2025'
  amount: KRW 2,350,000
grants:
- name: Project Semester Research Grant
  institution: Korea University
  year: '2024'
  amount: KRW 1,500,000