Publication announcement: our latest publication in Nature highlights our collaborative research that led to the discovery of a new mechanism explaining supe...
Leveraging DCC’s NVIDIA Tesla P100 GPUs, in this post I demonstrate how GPU acceleration within FHI‑aims and ELPA can speed up all-electron DFT calculations ...
Accurate error estimation is highly beneficial for quantifying differences in band structures of materials. This post explores utilizing the root-mean-square...
Announcing the upcoming release of our podcast where we talk about our experiences as grad students and postdocs at Duke University and provide information o...
Efficient resource monitoring is key to maximizing HPC performance. In this post, I explore techniques for advanced resource monitoring on HPC clusters and p...
This is a quick and simple recipe to roast pumpkin seeds.
A simple tutorial on embedding a video gallery in a Minimal Mistakes themed Jekyll website.
This brief tutorial provides an introduction to using Atomate2 to set up DFT workflows with the FHI-aims code.
A short tutorial on automating recurring tasks on Unix systems with Cron.
This post serves as a short catch-up and a quick fix to a Latex rendering issue I recently noticed on my web posts.
A tutorial on calculating diffusion energy barriers.
A tutorial on plotting Density of States for electronic structure calculations.
Classification of Perovskites of different symmetries based on their atomic positioning.
Creating visually appealing documents with Markdown, Pandoc and Pdflatex.