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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

Numerical Analysis – C++ Programs for various techniques

C++ Programming Numerical Analysis ProgrammingNov 1, 2015May 1, 2016 Manas Sharma

Algebraic and transcendental equations To find the roots of an equation(algebraic or transcendental) by Bisection Method. Links:            …

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numerical analysis methods categories techniques cloud tags

Modified Euler’s Method- (Lab Write-Up with algorithm and Flow-Chart)

Numerical Analysis ProgrammingNov 1, 2015Sep 12, 2016 Manas Sharma

Here is the Lab Write Up for a C++ Program to for solving linear differential equations using the Modified Euler’s Method. The Write-Up consists…

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cpp cplusplus plus c

Euler’s Method- (Lab Write-Up with algorithm and Flow-Chart)

Numerical Analysis ProgrammingOct 31, 2015Sep 12, 2016 Manas Sharma

Here is the Lab Write Up for a C++ Program to for solving linear differential equations using the Euler’s Method. The Write-Up consists of…

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programming coding blue hands digital keyboard fingers

Eigen Values and Eigen Vectors- (Lab Write-Up with Algorithm and Flow-Chart)

Numerical Analysis ProgrammingOct 31, 2015 Manas Sharma

Here is the Lab Write Up for a C++ Program to determine the dominant Eigen Value and it’s corresponding Eigen Vector for a…

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cpp cplusplus plus c

Exponential Fit- (Lab Write-Up with Algorithm and Flow-Chart)

Numerical Analysis ProgrammingOct 28, 2015 Manas Sharma

Here is the Lab Write Up for a C++ Program for fitting a given set of data points to an exponential function. The…

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curve fitting data exponential

Gauss Seidel- (Lab Write-Up with Algorithm and Flowchart)

Numerical Analysis ProgrammingOct 28, 2015Oct 28, 2015 Manas Sharma

Here is the Lab Write Up for a C++ Program for Gauss-Seidel Iterative Method to solve a System of Linear Equations. The Write-Up…

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Polynomial Fit- (Lab Write-Up with Algorithm and Flowchart)

Numerical Analysis ProgrammingOct 28, 2015Sep 12, 2016 Manas Sharma

Here is the Lab Write Up for a C++ Program for fitting a given set of data to a Polynomial of n-th degree.…

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C++ Program for Modified Euler’s Method to solve an ODE

C++ Programming Numerical Analysis ProgrammingOct 28, 2015Nov 22, 2021 Manas Sharma

Run the code online here: https://onlinegdb.com/N-6KusNbR Code: Run the code online here: https://onlinegdb.com/N-6KusNbR Sample output Exact (ideal) solution Explaination of the code: [wpedon…

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C++ Program for Euler’s Method to solve an ODE(Ordinary Differential Equation)

C++ Programming Numerical Analysis ProgrammingOct 27, 2015Dec 8, 2016 Manas Sharma

//Eulers Method to solve a differential equation #include #include #include using namespace std; double df(double x, double y) //function for defining dy/dx {…

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cpp cplusplus plus c

Gaussian Elimination-(Lab Write-Up with Algorithm and FlowChart)

C++ Programming Numerical Analysis ProgrammingOct 16, 2015Sep 12, 2016 Manas Sharma

Here is the Lab Write Up for a C++ Program for Gaussian Elimination to solve a System of Linear Equations. The Write-Up consists…

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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
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  • 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
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