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@sinagilassi
sinagilassi
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Sina Gilassi sinagilassi

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Chemical Engineer | Code Developer :Modelling, optimising & simulating chemical processes. Exploring Machine Learning in chemistry and chemical engineering:

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sinagilassi /README.md

πŸ‘‹ Hi, I’m @sinagilassi

I specialize in the modeling and optimization of chemical processes, with a strong foundation in mass and energy balances, kinetic modeling, and numerical analysis. My passion for chemistry has driven me to apply Density Functional Theory (DFT) in the study of catalytic reaction mechanisms. I’m also deeply interested in the intersection of Machine Learning (ML) and chemical engineering, particularly its applications in reaction modeling and process optimization. Beyond research, I enjoy coding and developing scientific tools that enhance our understanding of complex chemical systems.

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    A modular Python toolkit for creating MCP modules tailored to chemical engineering and chemistry workflows.

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    Python Thermodynamics Databook to easily build and quickly access essential thermodynamic data.

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    Parse Gaussian Output Files

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    Quickly find chemical information using the PubChem API

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    Python Reactor Modeling Tools -- UNDER CONSTRUCTION --

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    Advanced molecular analysis by converting molecular structures into graph representations.

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