Computational chemistry, computational physics, and computational biology articles

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 ...

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 ...

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 ...