Hossein Hajiabadi

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 …

Hartree Fock method: A simple explanation Read More »

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 …

Getting Started With Molecular Dynamics Simulation Read More »

Scroll to Top