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rschireman authored Jun 20, 2024
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# Portfolio
## Education
### Ph.D., Materials Science | University of Vermont (_July 2024_)
### Ph.D., Materials Science | University of Vermont (_August 2024_)

Dissertation: "_Accelerating Theoretical Anharmonic Vibrational Analyses with Machine Learning_"

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### PyCRYSTAL23 ([Demo](https://pycrystal23-irahbptihfxaezi4c3qraj.streamlit.app/))
- Python-based webapp deployed on cloud services automating the generation of CRYSTAL23 input files for materials simulations.
- Designed and implemented an intuitive user interface and hosted PostgreSQL database, streamlining the input parameter process and enhancing user experience.
- Designed and implemented an intuitive user interface and hosted PostgreSQL database, streamlining the input parameter process and enhancing user experience.

### ChemQuery ([Github](https://github.com/rschireman/ChemQuery/tree/main)
- RAG demo running gemma-7b-it completely locally on an RTX 3070 to answer questions about the CRYSTAL23 manual.


## Presentations

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