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Introduction to Computational Science 2021, University of Amsterdam

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Introduction to Computational Science

Usage

pipenv install --dev
pipenv shell
jupyter-lab

Basic definitions

What is a model?

  • a Model (M) for a system (S) and an experiment (E) is anything to which E can be applied in order to answer a question about S (Marvin Minski)
  • in this course the focus is only on models that can be expressed as computer programs
  • model's usefulness should be determined by model validation

What is a Simulation?

  • Simulation is an experiment performed on a mathematical model

Types of models:

  • (the actual system is not a model but could be used of course)
  • mathematical model
    • there might exist an analytical solution, otherwise simulation must be used
  • physical model

Types of mathematical models:

  • Continuous time models (state changes continually over time)
    • state changes are usually represented by sets of differential equations
  • Discrete time models (state changes continually but time axis is discretized)
    • states changes are usually represented by difference equations
  • Discrete event models (like discrete time models, but the intervals between time steps does not have to be constant)

Types of simulations:

  • Time-Driven Simulations
    • the time advances in fixed intervals of delta t
    • most often used for natural systems (continuous time models)
    • not ideal for discrete time models because delta t has to be small enough to capture every event in the discrete system
      • delta t could have to be infinitely small
  • Event-Driven Simulations
    • the time advances whenever a new event occurs to account for the occurrence for that event
    • trade efficiency for precision

What are differential equations?

  • Equations that describe changes rather than absolute values
  • Often used when describing the change of values is easier than the formulation of a function that describes the absolute values
  • Why do we need initial conditions?
    • Well, when we have a derivative and try to solve for a function that has this derivative, there can be multiple solutions
    • because of the constant term C
  • usually a form of y' = f(x, y)
  • g1(x) is a solution of y' = f(x,y)
    • <=> graph of g1(x) is an integral curve in the direction field associated with y' = f(x,y)
    • y'(x) = f(x, g1(x))

Types of differential equations:

  • Orinary Differential Equations (ODE)
    • single independent variabele
  • Partial Differential Equations (PDE)
    • multiple variables, e.g. the tempterature at each point in space

Types of solvers:

  • solvers take a conceptual model (e.g. mathematical model) and map it to a virtual machine model to find solutions
  • Numerical Solvers
  • Direct Solvers
  • Natural Solvers

Introduction on diseases

  • Epidemic
    • affecting many persons at the same time, and spreading from person to person in a locality where the disease is not permanently prevalent
  • Pandemic
    • epidemic that has spread over a large area, that is, it’s “prevalent throughout an entire country, continent, or the whole world
  • Endemic
    • disease that is prevalent in or restricted to a particular location, region, or population

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