A Computational Chemistry Alphabet for Curious Young Minds
Learning begins long before formal lessons start. Shapes, colors and gentle patterns spark interest even in the smallest learners. This playful computational chemistry…
Read More
Category: Physics
Physics Concepts, Physics Questions, Numericals and discussions
Trapezoidal Rule for Numerical Integration – Python Code and Tutorial
In this blog post, I will explain how to use the trapezoidal rule for numerical integration along with Python code and equations. The…
Read More
Numerical Methods for Root Finding – with Python code
Finding the roots of an equation, also known as solving for the zeroes, is a fundamental problem in mathematics. There are many different…
Read More
Fourier Series of SawTooth Wave
YouTube Tutorial Manas SharmaI’m a physicist specializing in computational material science with a PhD in Physics from Friedrich-Schiller University Jena, Germany. I write…
Read More
Fourier Series – Fourier Coefficients Derivation
YouTube Tutorial Manas SharmaI’m a physicist specializing in computational material science with a PhD in Physics from Friedrich-Schiller University Jena, Germany. I write…
Read More
Fourier series INTRODUCTION
YouTube Tutorial Manas SharmaI’m a physicist specializing in computational material science with a PhD in Physics from Friedrich-Schiller University Jena, Germany. I write…
Read More
Geometry Optimization Algorithms and implementations using Quantum ESPRESSO
So, I’ve been using Quantum ESPRESSO (QE) for a while now. And it’s relaxation (optimization) functionality as well. Now, although I had a…
Read More
X-Ray Diffraction (XRD) Pattern Simulator [C Program] Ver. 2 [Tutorial]
This is the third and the final post on my series on writing a Powder XRD pattern (diffractogram) simulator from scratch using C.…
Read More
Structure Factor Calculator [C PROGRAM]
This is the second post in the series of my posts on how to write an XRD Pattern simulator using C. In the…
Read More
Atomic Form Factor Calculator and Table
If you follow my blog, then you’d probably remember how I tried to write a powder X-Ray diffraction (XRD) pattern simulator quite a…
Read More