Molecular Dynamics (MD) simulation is one of the most useful computational tools and has numerous applications in physics, chemistry, biochemistry, and materials science. However, proper employing of molecular dynamics without understanding its theoretical backgrounds is arduous, if not impossible. This article explains some of the primary and essential molecular dynamics concepts in a nutshell and without mind-boggling mathematical equations. If you want to begin learning MD simulation or improve your knowledge of its underlying concepts, then this article is for you. Read More

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