Computational Chemistry, biology, Physics, and materials science Online Courses

“Nature Is Written In The Language Of Mathematics.”

– Galileo Galilei

We Can Help You With Computational / In Silico Methods

If you need help and support with an in-silico study or want to use in-silico methods alongside your experimental research, we can assist you with a wide range of computational techniques. The four primary areas of our expertise are as follows.


How to install Gaussian 16 on Linux (ubuntu and CentOS)

How to install Gaussian 16 on Linux, ubuntu and CentOS

Gaussian 16, the latest version of Gaussian software, is a state-of-the-art toolkit for electronic structure modelling. Gaussian 16 is available for a wide variety of computer systems. A suitable environment for operating Gaussian is a Linux based computer. However, many users have difficulty installing the package on a Linux machine. In this tutorial, I’ll show

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Hartree Fock method

Hartree Fock method: A simple explanation

If you are interested in learning computational chemistry, you cannot ignore the Hartree-Fock theory. Although researchers rarely use the Hartree Fock method directly in their studies nowadays, it is the cornerstone for almost all electronic structure methods. The Hartree Fock method is the practical approach for solving quantum mechanics problems, and when it comes to

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molecular dynamics simulation

Getting Started With Molecular Dynamics Simulation

Molecular Dynamics (MD) simulation is one of the most effective computational tools and has numerous applications in physics, chemistry, biochemistry, and materials science. However, proper employing of MD without understanding its theoretical backgrounds is arduous, if not impossible. This article explains some of the most essential molecular dynamics simulation concepts in a nutshell and without

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what does the computational or in silico term mean in experimental sciences?

in silico laboratory

In experimental sciences, computational or in silico methods are a set of techniques for estimating features of atomic/molecular systems by modelling their structure or predicting atomic/molecular processes by simulating them on a computer. Nowadays, computational methods are extensively used in experimental sciences and form various branches like computational chemistry, computational physics, computational biology, and etc. 

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