Welcome to the world of Scientific Computing
Established due to Structured Procrastination by an enthusiastic student working in theoretical & computational materials science. In this blog, you will find information about the latest trends and developments in Scientific Computing (specifically in the context of computational materials science), a Scientific Visualization gallery consisting of figures and animations, reviews on various Scientific Computing resources (codes, software packages, languages), and more!
Latest from the Blog
Density of States (DOS) Calculation Workflow – Curated Using Perplexity AI
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, processing…
Unveiling a New Horizon: Predictive Science Based Multiscale Modeling and AI Tools for Accelerated Materials Discovery
Developing new materials for critical applications requires time-consuming testing and experimentation to determine their long-term performance and integrity. Materials used in extreme environments require long-term reliability, as repair is often not feasible. Traditional materials discovery workflows based on a trial-and-error approach must be replaced by a more efficient data-driven process that could accelerate the deployment…
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,…
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About Me
I am Abhinav Roy, a PhD Candidate (Ryan Fellow) at Northwestern University’s Department of Materials Science and Engineering. I write about materials science and maintain two websites: one for personal musings and the other for disseminating information related to my research.
Theoretical & Computational Materials Science 