Tags » Gaussian

On multivariate Gaussian

Formulas

Formula for multivariate gaussian distribution

Formula of univariate gaussian distribution

Notes:

  • There is normality constant in both equations
  • Σ being a positive definite ensure quadratic bowl is downwards…
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Dealing with Spin Contamination

Most organic chemistry deals with closed shell calculations, but every once in a while you want to calculate carbenes, free radicals or radical transition states coming from a homolytic bond break, which means your structure is now open shell. 440 more words

Computational Chemistry

Bayesian Optimization for Clusters

What is the difference between storage cluster and multi-armed bandit (MAB)? This is not a trick question – to help answer it, think about this one: what’s common between  1,982 more words

Scale-Out

​Density Functional Theory: A Philosophical Explanation

Density Functional Theory was proposed in 1970s. The idea behind the Density Functional Theory (DFT) can be understood from a well known and widely popular story of Archimedes. 853 more words

Chemistry :)

Drag-Inertia Parameter (K) for Morison-Type Structure

Drag-Inertia Parameter (K) for Morison-Type Structure

K.Kurojjanawong 29-Mar-2017
Offshore Structure

Circles, social circles and Pi Day

March 14 (or 3/14) is Pi Day. During this somewhat whimsical holiday, science nerds around the globe eat pies and perform needlessly complicated operations to celebrate the fact that the ratio between a circle’s circumference and diameter is 3.14152653… It may be a little confusing from the outside, but that’s sort of the point. 522 more words

Matrices

Gaussian Elimination (Row Reduction)

Gaussian elimination is an algorithm for solving systems of linear equation.  It is avaible when the number of equations equals or more than the number of unknowns. 274 more words

Lecture Notes