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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

Installing Quantum Espresso on Windows – TUTORIAL

Quantum EspressoSep 17, 2017Apr 16, 2020 Manas Sharma

Quantum Espresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modelling at the nanoscale. It is based on…

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Spherical Bessel Function Integral Representation – C PROGRAM

C Programs Numerical Analysis Programming Numerical IntegrationSep 15, 2017Jun 5, 2018 Manas Sharma

Spherical Bessel Functions of the first kind of order n can be written in the integral form as follows: Using the Simpson’s Method…

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Problems on Numerical Integration – C Programming

C Programs Numerical Analysis Programming Numerical IntegrationSep 9, 2017Jun 5, 2018 Manas Sharma

In my previous posts, I showed you guys how to write C programs for various Numerical Integration Techniques, like Trapezoidal Rule, and Simpson’s…

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1/3rd c++

Euler Method – C PROGRAM

C Programs Numerical Analysis Programming Ordinary Differential EquationsSep 8, 2017Jun 5, 2018 Manas Sharma

Euler Method is a Numerical technique used to solve ordinary differential equations. In this post I will show you how to write a…

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Simpson’s 3/8th Rule – C PROGRAM

C Programs Numerical Analysis Programming Numerical IntegrationSep 2, 2017Jun 5, 2018 Manas Sharma

Simpson’s 3/8th Rule is a Numerical technique to find the definite integral of a function within a given interval. It’s so called because…

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1/3rd c++

Numerical Root Finding Exercises – C Programming

C Programs Numerical Analysis Programming Root FindingSep 1, 2017Jun 5, 2018 Manas Sharma

I have already discussed about how to write C Programs for various Numerical Root Finding Methods like, Bisection Method, Secant Method and the…

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Problems on Infinite Series Sum – C PROGRAMMING

C Programs Numerical Analysis Programming Series SumAug 31, 2017May 4, 2020 Manas Sharma

In my recent posts I have showed you how to write C programs that calculate the sum of a finite as well as…

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Bessel Function Series – C PROGRAM

C Programs Numerical Analysis Programming Plots and Graphs Series SumAug 30, 2017Jun 5, 2018 Manas Sharma

In this post we will write a C program to calculate the Bessel Functions of the first kind. We will use the series…

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Numerical Root Finding Exercise – C Programs

C Programs Numerical Analysis Programming Root FindingAug 29, 2017Jun 5, 2018 Manas Sharma

In the last post, I showed you guys how to calculate and plot the Chebyshev Polynomials of the second kind. And, in the…

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Plotting the Chebyshev Polynomials of the Second Kind using C and Gnuplot

C Programs Miscellaneous Numerical Analysis Programming Plots and GraphsAug 29, 2017Jun 5, 2018 Manas Sharma

In this post I will show you how to calculate and plot the Chebyshev Polynomials of the second kind using a C Program…

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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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