projects

List of projects I am or have worked on. These projects have become a reality thanks to the wonderful collaborators I've had the good fortune to work with, who brought joy to the science being done and helped me grow as a communicator and a scientist. For more (side) projects visit my data science blog

phd

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ACE-GCN

Adsorbate Chemical Environment-based Graph Convolutional Network

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CISTAR Safety Software

Reactive Hazards Evaluation Analysis and Compilation Tool (RHEACT) helps identify likely hazards when planning lab-scale experiments.

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WGSR - Pt/MgO

Catalysis at Metal/Oxide Interfaces - Water Gas Shift at Pt/MgO Boundaries

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Electronic & Geometric modification of Pt-V

Electronic and Structural modification of Pt-V alloy and its consequences for Propane Dehydrogenation Catalysis

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GASP

Genetic algorithm combined with lattice-matching algorithm to generate multi-component interfacial model for catalyst design.