Karan Metha Email and Phone Number

As a Lab Assistant for the junior-level chemistry course (CHEM 203 - Change and Equilibrium) at the University of Calgary, I support students in their understanding of fundamental chemistry concepts and experimental techniques. My role involves preparing lab materials, guiding students by providing clear explanations and hands-on assistance, helping students develop their analytical and problem-solving skills.

- Conducted Density Functional Theory (DFT) calculations to analyze the electronic structure and properties of various compounds.- Calculated PBE (Perdew-Burke-Ernzerhof) and HSE (Heyd-Scuseria-Ernzerhof) values for compounds, focusing on: - Energy Above Hull determination for stability assessment. - Space Group - Fm3̅m analysis for crystallographic characterization. - Band Gap determination spanning 0.00 eV to 5.00 eV to assess semiconductor properties. - Investigated Different Magnetic Ordering configurations to study magnetic properties.

- Executed the synthesis of a series of Nickel (II) complexes, encompassing a diverse spectrum of electronic properties.- Contributed to a larger research objective focused on leveraging Machine Learning methodologies for the automated analysis of X-Ray Absorption (XAS) data.- Worked towards the extraction of significant electronic information from XAS data through the synthesis and characterization of Nickel (II) complexes.- Integrated knowledge of synthetic chemistry with the broader goal of advancing the application of Machine Learning in the interpretation of XAS data for enhanced electronic insights.- Applied proton H-NMR and UV-Vis spectral analysis techniques to characterize synthesized compounds and validate structural properties.

- Modelled complex Nickel (II) structures in Gauss View for detailed analysis.- Conducted literature review to augment understanding of Nickel (II) complexes.- Integrated computational modelling and literature insights for a comprehensive study of Nickel (II) complex properties.