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A Computational Chemistry Alphabet for Curious Young Minds

21 Nov

How to Properly Cite VASP in Your Research Papers | A Guide with Examples and Formats

11 Dec

Exchange-Correlation Functionals [Explained for Beginners]

1 May

Why is chemical accuracy defined as 1 kcal/mol? [SOLVED]

29 Apr

Random Walkers walking on a 2D grid

Coding PythonMay 7, 2021May 13, 2021 Manas Sharma

YouTube video explaining the analytical solution POWERPOINT PRESENTATION DOWNLOAD LINK Problem Alice (starts from lower left corner) will walk north(up) or east(right) with…

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Fourier Series of SawTooth Wave

Mathematical Physics UncategorizedMar 28, 2021Mar 28, 2021 Manas Sharma

YouTube Tutorial [wpedon id=”7041″ align=”center”]

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Fourier Series – Fourier Coefficients Derivation

Mathematical Physics UncategorizedMar 28, 2021Mar 28, 2021 Manas Sharma

YouTube Tutorial [wpedon id=”7041″ align=”center”]

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Fourier series INTRODUCTION

Mathematical Physics UncategorizedMar 28, 2021May 20, 2021 Manas Sharma

YouTube Tutorial [wpedon id=”7041″ align=”center”]

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3D Trajectory Animated using Matplotlib (Python)

Coding PythonOct 31, 2020May 13, 2021 Manas Sharma

Based on a lot of useful references especially (https://gist.github.com/neale/e32b1f16a43bfdc0608f45a504df5a84) here I share my code to plot the animated trajectory of a particle (in…

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3D Line or Scatter plot using Matplotlib (Python) [3D Chart]

CodingOct 31, 2020 Manas Sharma

If you ever want to plot some trajectory of particles then a 3D plot can be particularly useful. The following is a very…

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Animated plots using Matplotlib (Python) [SINE WAVE ANIMATION]

Coding PythonOct 31, 2020May 13, 2021 Manas Sharma

OUTPUT: MP4 Video GIF [wpedon id=”7041″ align=”center”]

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Performing SYMBOLIC/ANALYTICAL Integration or Differentiation using PYTHON [TUTORIAL]

Coding PythonAug 20, 2019May 13, 2021 Manas Sharma

DEMO CODE: YouTube Tutorial [wpedon id=”7041″ align=”center”]

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Solving a System of Linear Equations using Python

Coding PythonAug 19, 2019May 13, 2021 Manas Sharma

In this brief blog post I post a small code that can be used to solve a system of linear equations using SciPy…

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Matrix Operations in Python using SciPy

Coding PythonAug 19, 2019May 13, 2021 Manas Sharma

In this blog post, I demonstrate a Python code, that shows how to perform various matrix operations such as: 1. Defining a matrix,…

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Latest Articles

  • A Computational Chemistry Alphabet for Curious Young Minds
    Nov 21, 2025
  • How to Properly Cite VASP in Your Research Papers | A Guide with Examples and Formats
    Dec 11, 2024
  • Exchange-Correlation Functionals [Explained for Beginners]
    May 1, 2024
  • Why is chemical accuracy defined as 1 kcal/mol? [SOLVED]
    Apr 29, 2024
  • What is Electron Correlation? [EXPLAINED]
    Dec 4, 2023
  • Automate Bulk Downloading of Molecular Properties and 3D Structures from ChemSpider with Python and Chemspipy
    Nov 16, 2023

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