Calculating the diffusion energy barrier of a single oxygen vacancy
A tutorial on calculating diffusion energy barriers.
Hello and welcome to my personal website!
I am currently a Postdoctral Associate in the Department of Mechanical Engineering and Materials Science (MEMS) at Duke University in the research group of Dr. Volker Blum. My research primarily focuses on developing computational methods to study materials useful in novel semiconductor and renewable energy applications.
During my time as a Ph.D. candidate in the Department of Physics and Astronomy at West Virginia University working with Dr. Aldo Romero, my research focused on the study of Strongly Correlated Materials (SCMs) using beyond Density Functional Theory (DFT) quantum many body methods including Dynamical Mean Field Theory (DMFT). I was also involved in code development projects that facilitate pre and post-processing of electronic structure calculations.
Listed here are publications stemming from my research. For more information about my background please refer to my CV.
Additionally, I maintain a blog on my website relating to my research interests and other topics.
Please feel free to leave a comment on my posts and email me if you would like to contact me. Click on the tabs above to learn more about me and my work.
Recent blog posts
Stay home and plot Density of States
A tutorial on plotting Density of States for electronic structure calculations.
Glazer notation for Octahedral Tilting in Perovskites
Classification of Perovskites of different symmetries based on their atomic positioning.
An introduction to creating professional looking documents with Markdown
Creating visually appealing documents with Markdown, Pandoc and Pdflatex.