Plotting the Density of States (DOS) from Vienna Ab initio Simulation Package (VASP) calculations using the Atomic Simulation Environment (ASE) is a crucial task in computational materials science. This process involves extracting electronic structure data from VASP outputs and visualizing it to gain insights into material properties. The workflow typically includes running VASP calculations, processingContinue reading “Density of States (DOS) Calculation Workflow – Curated Using Perplexity AI”
Tag Archives: quantum-computing
The Essence of Scientific Computing
Scientific computing is the process of computing data to describe a scientific problem, which falls under the broad domain of computational science. This rapidly growing branch is an amalgamation of various branches of Science and Engineering and covers the various aspects of a complex problem. Although computational science spans many different disciplines, at its core,Continue reading “The Essence of Scientific Computing”
Theoretical & Computational Materials Science 