## 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…

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# BragitOff.com

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# Category: Numerical Analysis Programming

## Geometry Optimization Algorithms and implementations using Quantum ESPRESSO

## Determinant of the Hilbert Matrix – C PROGRAM

## Chi Square Minimization using initial guesses – C PROGRAM

## Calculating Value of Pi using Monte Carlo Technique – C PROGRAM

## Central Limit Theorem Demonstration – C PROGRAM

## Acceptance-Rejection Method (Rejection Sampling) for generating distributions- C PROGRAM

## Polynomial Fitting – C PROGRAM

## Exponential Fitting – C PROGRAM

## Linear Fitting – C PROGRAM

## Simulate a DICE THROW – C PROGRAM

Here you may find useful articles and programs on Numerical Analysis.

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 MoreI have recently written a post that calculates the determinant of a given square matrix using the Gaussian elimination technique. In the last…

Read MoreMethod # 1: Chi-square minimization Fitting a dataset (xi,yi,si) using a curve y=f(x)=a*exp(bx), where values of the parameters a and b are unknown,…

Read MoreRecently in my Numerical Techniques class I learnt a Monte Carlo technique to calculate the value of Pi . The procedure is really…

Read MoreOne of the fundamental theorems of probability is the Central Limit Theorem. This theorem says that if Sn is the sum of n…

Read MoreAcceptance-Rejection method can be used to produce random numbers following a certain probability density function. This is done by generating random numbers following…

Read MoreOkay, so here I am sharing a code for fitting a polynomial to a given set of data-points using the Least Squares Approximation Method(Wikipedia).…

Read MoreIn this post I will be showing you how to write a code that fits the data-points to an exponential function, like: where,…

Read MoreIn this post I am sharing a C program that uses the least-squares approximation (also known as Chi square minimization) to find the…

Read MoreIn the last post I wrote about how to generate random numbers in a given range: [min, max]. In this post we will…

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