Chavit53

Simulation

1. Computer simulation started after the second World War.
2. Working with computers has provided us with a new metaphor for the las of nature.
3. Computers carry as much information as algorithms.

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Algorithms

• To make a computer do anything, you have to write a computer program.
• To write a computer program, you have to tell the computer, step by step, exactly what you want it to do.
• The computer then "executes" the program, following each step mechanically, to accomplish the end goal.
• When you are telling the computer what to do, you also get to choose how it's going to do it.
• That's where computer algorithms come in. The algorithm is the basic technique used to get the job done.

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Molecular Simulation

Computer simulation allow us to study properties of many particals. Not all properties can be directly measured in a simulation.

Molucular Dynamics simulation of liquid water:, we could measure the instantaneous positions and velocites of all molecules in the liquid.