Note
The PDF version of the CV letter can be found here.
- GitHub: github.com/kangmg
- ✉️ Email: [email protected]
My research has focused on predicting molecular properties and reactivity using ab initio calculations. Currently, I am particularly interested in two areas: accelerating chemical discovery through Machine Learning Potentials and understanding large-scale systems via MLP-based MD simulations at ab initio accuracy.
◆ Programming Languages
- Python (Advanced), Julia (Intermediate), Basic Bash
◆ Scientific Skills
- Computational Chemistry: ASE, PySCF, Psi4, GAMESS-US, etc.
- Machine Learning: PyTorch, scikit-learn
- Visualization Tools: VMD, matplotlib, seaborn, etc.
◆ Code Development
- Collaboration & Issue Tracking: Git
- Python packaging & deployment
- Basic Docker & Familiarity with Linux (ubuntu)
- Cloud Service: Google Cloud Platform (GCP), AWS
◆ Large Scale Data Processing
- File Formats: HDF5, SQL (MariaDB)
- Data Collection: Web Crawling, APIs
◆ Project Semester (Grant $1000) • Lab of Ultrafast Spectroscopy • Advisor: Jae Yoon Shin • July 2024 - December 2024
- Collected and preprocessed of organic molecule dataset (10K) using the PubChem API
- Performed large-scale (50K) QM calculations and built a normal mode perturbed molecular dataset
- Fine-tuned of Universal Machine Learning Potentials (MLP) to improve accuracy in the transition state TS region
- Studied of MLP-based MD simulations and simulated Carbon polymerizations and acetylene annulation reactions
- Developed an ASE-compatible distortion interaction analysis calculation python package for applying MLP models
◆ X-Corps Program November • Biomedical Nano-engineering Lab • Advisor: Gyudo Lee • November 2019 - April 2020
- Studied a paper-based colorimetric biosensor for measuring ethanol concentration and their color quantifications
- Synthesized polyaniline (PANI) NPs and immobilized ADH on PANI-coated paper
- Proposed a method for pH prediction using an RGB color picker and studied the correction of lighting brightness effect
◆ KUS Living Lab Program
• Immune Control Lab • Advisor: Hyun Sik Jun • December 2019 - February 2020- Established a database of medicinal properties of indigenous plant in Sejong
- Investigated natural drug candidates for anti-cancer and anti-inflammatory effects
◆ Personal Projects (Computational Chemistry)
- ASE Calculators: Developed various ASE Calculators for interfacing with PySCF, XequilNet, and MLatom
- OverlayMol: Interactive Molecular Overlay plot and reaction trajectory viewer using Plotly
- aimDIAS: MLP (AIMNet2) based Activation Strain Analysis package
- CompChem Archive: A collection of minor projects and studies in computational chemistry
◆ Image to Music Recommendation Service (Deep Learning) • Github
2024 Like Lion Data Analysis School DATATON • June 2024
- Proposed the project topic and managed its scheduling, planning, and overall design
- Collected various types of data using APIs and web crawling, and performed data preprocessing
- Studied a CNN-based sentiment classification model
- Designed the service architecture, developed, and deployed the website using Streamlit
◆ Deepfake Voice Detection (Deep Learning) • Github
2024 Like Lion Data Analysis School • Mentor: Dongbin Na • Sep 2024- May 2015
- Investigated technical trends in synthetic TTS and studied relevant literature on deepfake detection
- Proposed a strategy for generating deepfake voice data
- Preprocessed audio data by adjusting sampling rates and converting file formats to wav
- Transformed auto data into Mel spectrogram for modeling
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Theoretical approach to molecular structural theory • 📄 Presentation • May 2023
Informal Seminar Organized by COCO, undergraduate academic club
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Measurement of Partial Molar Volume • 📄 Presentation • March 2023
Physical Chemistry Lab Course Seminar
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Introduction to UV-Vis Spectroscopy • 📄 Presentation • November 2020
Analytical Chemistry Lab Course Seminar
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Brief Introduction of Aldol Condensation Reaction • 📄 Presentation • June 2020
Organic Chemistry Lab Course Seminar
Korea University, Sejong Campus • March 2019 - Present
B.S. Advanced Materials Chemistry | GPA (Cumulative, Major): (3.99, 4.11) / 4.5
TECHIT Data Analysis School • February 2024 - July 2024
Certificated in 6-Month Data Science & Artificial Intelligence Boot Camp
The Republic of Korea's Army (Sergeant) • April 2021 - October 2022
18-Month Mandatory Military Service
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Last Updated on November 22, 2024