Aaliyah Khan Email & Phone Number

Philadelphia, PA, US

• Project: “Systematic Route to Explore the Potential Energy Landscape of a New Family of Functional Materials”
• We use crystallographic database mining and first principles density functional theory calculations to explore potential energy landscapes to find new functional materials.
• We focus on finding new ferroelectrics and antiferroelectrics for energy storage and production.
• We use open source software packages such as Abinit to perform DFT and DFPT calculations. The results of these computations are used to map out potential energy landscapes and to categorize as yet to be reported.

Baltimore, Maryland Area

• Assisted current and prospective students and parents in the process of obtaining financial aid
• Coordinated communications between students/families and Financial Aid Counselors

• Collaborated with Dr. Joel Liebman on the project: “Estimating Entropies of Aqueous Ions"
• Performed data analysis of tabulated data using Excel
• Provided data analysis summary to assist in theoretical explanation

• Participated in a virtual summer experience with the Protein Data Bank (rcsb.org) and Stephen Burley and Sagar Khare at Rutgers Institute of Quantitative Biology (IQB)
• Project: “Mapping COVID-19 Mutations: Evolution of SARS-CoV-2 non-structural protein 14 during the first 6 months of the global pandemic”
• Studied SARS-CoV-2 protein mutations using structural bio-informatics tools: Clustal Omega, PyRosetta, and Molstar
• Presented results at the 70th Annual Meeting of the American Crystallographic Association.
• Attended and engaged in professional development training and graduate school preparation with RISE coordinators

Doctor Of Philosophy - Phd

Bachelor Of Science - Bs, Chemistry, Junior

Activities and Societies: REACH Initiative, UMBC American Chemical Society Student Chapter