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Simulation

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  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.

Algorithms
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  • 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

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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.


Monte Carlo Simulation

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A basic Monticarlo Algorithum

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