I will develop python scripts for computational data analysis and visualization
Creative solutions, professional results
About this Gig
Are you a researcher, scientist, engineer, or student looking for customized Python solutions for your data analysis and computational projects?
I will develop professional Python scripts tailored to your specific requirements in computational chemistry, physics, materials science, engineering, machine learning, and other scientific fields.
Services Offered
Computational chemistry data analysis
- Gaussian output parsing
- ORCA output analysis
- DFT result processing
- Interaction energy calculations
- Adsorption studies
- Transition state analysis
- Molecular descriptor extraction
- Heatmaps
Data visualization
- Publication-quality plots
- Energy profile diagrams
- Adsorption isotherms
- Spectroscopic data visualization
- Statistical plots
Tools and Libraries
- Python
- NumPy
- Pandas
- Matplotlib
- Plotly
- SciPy
- Scikit-Learn
- ASE
- PySCF
- PyIAST
- Jupyter Notebook
Please contact me before placing an order for complex projects.
My Portfolio
FAQ
What software outputs can you analyze?
Gaussian, ORCA, VASP, Quantum ESPRESSO, CP2K, NWChem, and many other computational chemistry packages.
Can you create publication-quality figures?
Yes. I can generate high-quality figures suitable for journal publications and thesis work.
Can you automate repetitive research tasks?
Yes. I can develop custom scripts to automate data extraction, processing, and reporting.
Do you provide Jupyter notebooks?
Yes. Scripts can be delivered as Python files (.py) or Jupyter notebooks (.ipynb).
Can you work on non-chemistry projects?
Absolutely. I also work on scientific computing, engineering data analysis, statistics, machine learning, and general Python automation projects.

