ABSTRACT

Molecular dynamics Whether the famous apple actually fell on him or not, we will never know. Nevertheless something opened Isaac Newton’s ingenious mind in 1686  to a new perception of nature and to conceive the equations of motion (Figure 2.1). Mankind seemed finally in a position to understand the rules of the game that nature played. The main equation describing this Newtonian world is as simple as

F a= m (2.1)

where: F is force vector m is atomic mass a is acceleration vector

Note that, in this chapter and throughout this book, vector quantities are written as bold letters, which signify both magnitude and direction.