Computational chemistry, computational physics, and computational biology articles
What Does ” in silico” mean?
February 5, 2023
1 Comment
In a nutshell, in silico means “using computer simulations and models to research complicated biological, chemical, and physical systems.” In silico methods are employed in …
Hartree Fock method: A simple explanation
January 3, 2022
9 Comments
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 …
Getting Started With Molecular Dynamics Simulation
April 22, 2021
7 Comments
Molecular Dynamics (MD) simulation is one of the most effective computational tools and has numerous applications in physics, chemistry, biochemistry, and materials science. However, the …