ABSTRACT
Many programming concepts are helpful in developing a numerical solution and in communicating the written program with co-workers. In particular, there are the basics in Object Oriented Programming, namely, data abstraction, encapsulation, inheritance, modularity and polymorphism. The intricacy of many programming languages represents important evolution of the programming techniques — such as case sensitive, type sensitive, content sensitive, operator and function overload. An algorithm is the procedure for solving a mathematical problem in a finite number of steps. It is deteministic automation, particularly suitable to program a computer to perform the analytical or numerical solution. Simulated annealing is a probabilistic algorithm that is widely used for NP hard problems such as path-finding, spanning trees, scheduling and magnet shimming. The global minimum energy state of nano structures is of great importance for understanding their physical, chemical and biological properties. Molecular dynamics simulates the collective behaviour of atoms or molecules by following their equations of motion.
