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https://github.com/jcwang587/jcwang587


https://github.com/jcwang587/jcwang587

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README

        

### Hi there 👋

Visit my [personal webpage](https://jcwang.org/) for more details about my experience.

- 🎓 I am a UMass BTP Fellow and Douglas Fellow, currently a chemical engineering Ph.D. candidate at UMass Amherst.
- 💊 I am currently a Co-Op at Boehringer Ingelheim, focusing on the prediction of metabolic sites.
- 🔋 I am currently working on electrochemical systems for energy storage and conversion using computational methods.
- ⚛️ I am interested in visualizing chemical structures as artwork. You can view my work on my [Sketchfab webpage](https://sketchfab.com/gur0bi).


ials2023
cc2024

### Packages

- 🚌 [xdatbus](https://github.com/jcwang587/xdatbus) - A Python package for enhancing VASP AIMD simulations and analysis

[![Release](https://img.shields.io/github/v/release/jcwang587/xdatbus)](https://github.com/jcwang587/xdatbus/releases)
[![PyPI Downloads](https://img.shields.io/pypi/dm/xdatbus?logo=pypi&logoColor=white&color=blue&label=PyPI)](https://pypi.org/project/xdatbus)

- 🔮 [cgcnn2](https://github.com/jcwang587/cgcnn2) - Reproduction of CGCNN with fine-tuning for predicting material properties

[![Release](https://img.shields.io/github/v/release/jcwang587/cgcnn2)](https://github.com/jcwang587/cgcnn2/releases)
[![PyPI Downloads](https://img.shields.io/pypi/dm/cgcnn2?logo=pypi&logoColor=white&color=blue&label=PyPI)](https://pypi.org/project/cgcnn2)

### Courses

- 📝 [math modeling](https://jcwang.org/math-modeling) (In Development) - Chemical Engineering 231 Mathematical Modeling Spring 2025

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