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    Computational Physics: - The Programming Language I'll Use Is

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    Utkarsh Gupta
    This document discusses computational physics techniques that will be covered in the course, including: (1) finding roots of functions, (2) interpolation and curve fitting, (3) numerical integration, (4) solving ordinary differential equations, (5) solving partial differential equations, (6) Monte Carlo techniques, and (7) numerical quantum mechanics. MATLAB will be used as the primary programming language. Basic MATLAB operations on matrices are also outlined, such as creating matrices, built-in functions, and for loops.

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    Computational Physics: - The Programming Language I'll Use Is

    Uploaded by

    Utkarsh Gupta
    37 views19 pages
    This document discusses computational physics techniques that will be covered in the course, including: (1) finding roots of functions, (2) interpolation and curve fitting, (3) numerical integration, (4) solving ordinary differential equations, (5) solving partial differential equations, (6) Monte Carlo techniques, and (7) numerical quantum mechanics. MATLAB will be used as the primary programming language. Basic MATLAB operations on matrices are also outlined, such as creating matrices, built-in functions, and for loops.

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    Lecture 1

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    This document discusses computational physics techniques that will be covered in the course, including: (1) finding roots of functions, (2) interpolation and curve fitting, (3) numerical integration, (4) solving ordinary differential equations, (5) solving partial differential equations, (6) Monte Carlo techniques, and (7) numerical quantum mechanics. MATLAB will be used as the primary programming language. Basic MATLAB operations on matrices are also outlined, such as creating matrices, built-in functions, and for loops.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    37 views19 pages

    Computational Physics: - The Programming Language I'll Use Is

    Uploaded by

    Utkarsh Gupta
    This document discusses computational physics techniques that will be covered in the course, including: (1) finding roots of functions, (2) interpolation and curve fitting, (3) numerical integration, (4) solving ordinary differential equations, (5) solving partial differential equations, (6) Monte Carlo techniques, and (7) numerical quantum mechanics. MATLAB will be used as the primary programming language. Basic MATLAB operations on matrices are also outlined, such as creating matrices, built-in functions, and for loops.

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    © All Rights Reserved
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    Download as pdf or txt
    of 19

    Computational Physics

    • In this course we will learn many of the


    important numerical techniques used in
    computational physics and demonstrate them
    with the help of computer programs.

    • The programming language I’ll use is


    MATLAB
    • You may use any other programming language
    you are more familiar with for assignments etc.
    The major numerical techniques we will learn
    and use are the following.

    1. Finding roots of a function of one and more


    variables.
    kL
    Example : k tan   k
    2 2

    2
    Solve for k
    Newton–Raphson method in one dimension
    and extension to higher dimensions.
    2 . Interpolation and Curve fitting

    Example : Interpolating/curve fitting experimental


    data.

    Polynomial and Spline interpolation, Best fit


    by minimizing RMS difference
    3. Numerical integration

    Example : Cornu’s spiral


    t
     u 2  t
     u 2 
    x ( t )   cos   du y( t )   cos   du
    0  2  0  2 

    Euler method, Simpson Method, Gaussian


    quadrature etc.
    4. Numerical solutions of ordinary differential
    equations with initial as well as boundary
    conditions.

    Example : Solving the Airy’s equation

    y  xy  0 y(0)  0 ; y(L)  0

    Euler Method, Runge-Kutta methods of


    different order, Shooting method.
    5. Numerical solutions of PDE with boundary
    conditions

    Example : The wave, the heat and Laplace


    equations.
    Finite Difference and Finite Element methods.
    6. Monte Carlo techniques

    Examples : Brownian motion, Diffusion, Ising


    Model, Monte-Carlo integration

    The Metropolis Algorithm,


    7. Numerical Quantum Mechanics

    Example : Finding energy eigenvalues


    and eigenfunctions in different setting,
    time evolution of wavefunctions etc.
    Beginning With MATLAB

    1. MATLAB : An Introduction with Applications


    by
    Amos Gilat
    Basic Operations With Matrices

    MATLAB is the short form for


    Matrix Laboratory
    Not
    Mathematics Laboratory

    Every variable is a matrix. A single number


    is a 1 x 1 matrix. An 1-d array of length N is
    either a 1 x N matrix (row vector) or N x 1
    matrix (column vector).
    In MATLAB one does not need to declare the
    data/variable type. Any alphanumeric string,
    beginning with a alphabet can be used as a
    real, integer or complex variable.

    The arithmetic operations : + ; - ; * ; / ; ^

    X^3 is x raised to the power 3


    Built-in MATLAB Functions

    sqrt(x) nthroot(x,n) exp(x) log(x)

    Log10(x) factorial(x) abs(x) sin(x)

    sind(x) cos(x) cosd(x) tan(x) tand(x)

    Cot(x) cotd(x) asin(x) acos(x) tanh(x)


    round(x) : round(17/5) = 3 round(18/5)=4

    fix(x) : fix(13/5)=2

    ceil(x) : ceil(13/5)=3

    rem(x,y) : rem(13,5)=3

    rand : generates a random number


    between 0 and 1
    randi(n) : generates a random integer b/w 1
    and n
    rand(m,n) : generates a random 2 x 3 matrix
    with each element a random number b/w 0
    and 1

    randi(m,n,p) : generates a m x n matrix


    with each element a random number b/w 1
    and p
    Creating a Matrix

    A = [2.5 -3.2 1.8]

    A = [1 2 3;4 5 6;7 8 9]

    A=2:3:17 A=linspace(x,y,n)

    Matrix Operations

    A*B A multiplied by B. Dimensions must match.


    inv(A) : Inverse of A

    det(A) : determinant of A

    trace(A) : Trace of A

    A= ones(m,n) : m x n matrix with all ones

    A = zeros(m,n) : m x n matrix with all zeros

    A = eye(n) : n x n identity matrix


    sin(A) cos(A) exp(A) atan(A) etc. create
    matrices where the operation (sin, cos, exp
    etc. are applied to each element of the
    matrix)

    A^n : matrix A multiplied with itself n times.

    A.^n : each element of the matrix is raised


    to the nth power.
    If A and B are of the same dimension, then
    A./B is element by element division of A with
    those of B
    The “for” loop

    for k=1:n
    --------
    --------
    --------
    end
    Let us numerically prove the following.

    If A is a square matrix, then


    det(exp(A)) = exp(trace(A))

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