Computer Simulation

/Computer Simulation
Computer Simulation2019-07-29T16:54:08+04:30

Computer Simulation is a problem solving technique.

  • there are various definition of computer simulation.
  • It is an experimental method.  Application of simulation is indicated in the solution of problems of (a) systems design (b) systems analysis. Simulation is resorted to when the systems under consideration cannot be analyzed using direct or formal analytical methods.

[Claude McMillian, Richard Gonzales: Systems Analysis, 1965, Irwin Inc]

Computer simulations provide valuable and often critical insight into the structure and properties of materials and molecules.
https://www.advancedsciencenews.com/novel-divide-conquer-based-computer-simulations/
  • Another important aspect about simulation is captured in Shubik’s definition:
    “A simulation of a system or an organism is the operation of a model or simulator which is the representation of the system.”

Martin Shubik: “Simulation and the theory of the firm, [American Economic Review, L, No.5,1959]

simulation and modeling, Through simulation, the problem can be identified and solved.

Why do we want to simulate a
system?

  • To understand it
    • To control it
    • To predict its behaviour (without risky/costly/impossible
    testing)
    • To optimize it
    • To rationalize decisions, opinions (misuse possible here!)
    • To train people working with the system
    • To implement realistic computer games
    • To compress information


    • Find examples!
Computer simulation is a powerful tool for increasing the quality of the world.

computer simulation from Atom to Structure

  • The development and application of molecular simulation as a tool to better understand materials has received significant attention. Flexibility, integration and changeable properties play a critical role in the establishment of a new era of materials manufacturing.
    Not limited to nanotechnology, this field aims at designing and producing the bestperforming material at minimal cost. Hierarchical materials, with their expanded design space and potential for synergetic interactions of mechanisms across scales (below Figure), promise to play a very important role in enabling our ability to design structures for very different purposes, to reconfigure, reassemble and redefine properties on demand. An emerging concept is the exploitation of the “multiscope”, which reflects a systems perspective on the use of multiple length-scales in generating designer materials.
Common principles of biological and bioinspired material design. (a), Merger of ‘structure’ and ‘material’ across different length scales in hierarchical materials. (b), Different hierarchical systems feature common principles by which function emerges, which can be demonstrated by the application of category theory. Musical scores on the right based on a translation from designer silk sequence reported in [ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3806500/ ].

simulation techniques types

  • simulation techniques are in categories based of  length scale by Markus J. Buehler that he  is an Professor in the Department of Civil and Environmental Engineering at the MIT.
    definition of this techniques come in items of computer simulation page into main menu. see below figure. 
Overview of various computational and experimental tools, including synthesis, processing and imaging/manipulation techniques. The emergence of tools operating at different length-scales now enable the analysis of materials across all relevant scales. In this article we review applications of the multiscale modeling approach to describe molecular and coarse-grained models of silk, to integrate the chemical and macroscopic length-scales. Figure reprinted from [3]. [https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3806500/]
  • please share your comment with me [masoomeh.gh.farahani@gmail.com] to develop of computer simulation, thank you 🙂