Physics 256 Computational Physics Spring 2024

Instructor: Prof. Y. Gao - B&L 473 (x-58574), e-mail ygao@pas.rochester.edu

Text: N.J. Giordano and H. Nakanishi, Computational Physics, 2nd Ed.(Pretice-Hall,
London, 2006).
References (available in POA):
A. Downey, Think Python (Green Tea Press, Needham, 2015)
A book about Python from ground zero. We will use it for the introduction to python.
The book is free to download on line.
W.H. Press, B.P. Flannery, S.A. Teukolsky, and W.T. Vetterling, Numerical Recipes
(Cambridge, Cambridge, 1988).
A comprehensive list of methods used in computational physics and discussions of the
theoretical background.
A.J. Garcia, Numerical Methods for Physics, 2nd Ed. (Pretice-Hall, New Jearsey,
2000).
Based on Matlab and C++, it contains topics that will be covered in our course such as
Data Analysis.
Paul L. DeVries, A First Course in Computational Physics (Wiley, New York, 1994).
A traditional approach to computational physics that emphasizes the computational
methods and mathematics aspects.
Lectures: 2:00 pm - 3:15 pm, Mon. & Wed., in B&L 407. Zoom ID 945 3158 7522
Content: Introduction to Python and VPython; numerical considerations; realistic
projectile motion; oscillatory motion and chaos; planet motion; potentials and
fields; waves; time-independent Schrodinger equation; variational approach;
time-dependent Schrodinger equation; random numbers and evaluation; random
walks and diffusion; cluster growth; fractal and percolation; Ising model and
Monte Carlo method; root finding and optimization; solving linear equations;
data analysis and curve fitting; neural network; protein folding; density
functional theory
Requirements:
(a) Homework will be assigned weekly in conjuncture with the materials covered in the
lectures. No late homework will be accepted unless a prior arrangement is made
with the instructor for good reasons.
(b) A final project of your own choice to solve a physics problem with computer. A 25
min. presentation to the class.
Grading: Homework 50%, final project 40%, class participation 10%.
Assistance: Prof. Gao's office hours will be 2:00-3:00 pm on Fridays in his office.
Other times can also be arranged when it is mutually convenient. The best way
to reach Prof. Gao outside of the appointment hours is by e-mail, phone at 58574
(Office) or 56987 (Lab). The homework assignments, example programs, and
lecture notes and records will be available online in Blackboard.
Physics 256 Computational Physics Spring 2024

Syllabus
I. Introduction to programming language
High level computer languages. Program styles. Flow chart. Debugging.
Constant and variables. Input and output. Build-in functions. Decision structures.
Loop structures. Arrays and matrices. Functions. Objects, attributes and methods.
II. Numerical considerations
Choice of algorithm. Sources of numerical errors. Error, accuracy, and stability.
Results verification.
III. Ordinary differential equations (I)
Euler method. Comparison to exact solution. Effect of step size. Radiation decay.
Realistic projectile motion. Effects of air drag, density, wind, and spin.
IV. Ordinary differential equations (II)
Euler-Cromer method. Runge-Kutta method. Verlet method. Simple harmonic
motion. Driven nonlinear pendulum. Chaotic behavior. Poincare plot.
Bifurcation and Feigenban parameter. Frequency plot with FFT. Logistic map.
V. Ordinary differential equations (III)
Solar system. Three body problem. Kirkwood gap. Procession of Mercury.
VI. Partial differential equations (I)
Laplace’s equation. Jocobi method. Gauss-Seidel method. Simultaneous
overrelaxation method. Discussion of convergence. Capacitor in long cylinder.
Poisson’s Equation. Line charge in long square tube. Magnetic field of a current
line or loop. Simpson’s rules.
VII. Partial differential equations (II)
Waves and wave equation. Boundary conditions. Stability and step size.
Frequency spectrum with FFT. Uneven string. String with damping and stiffness.
VIII. Random walk
1-D and 2-D random walks. Diffusion equation. Calculation of entropy.
IX. Growth and fractal
Cluster growth. Eden growth. Diffusion limited aggregation. Koch curves.
Fractal dimensionality. Percolation.
X. Root finding
Mean field approximation. Spontaneous magnetization. Root finding with
relaxation method and Newton’s method.
XI. Monte Carlo method
Monte Carlo method for . Ising model. Ferromagnetism. Phase transition of 2-
D Ising model of a square lattice.
XII. Partial differential equations (III)
Time independent Schrodinger equation. Shooting method. Matching method.
Matrix approach. Variational approach. Time dependent Schrodinger equation,
leap-frog method. 1-D scattering; 2-D scattering. Spectral method.
XIII. Molecular dynamics
Force and dynamics. Lennar-Jones potential. Truncation of interaction.
Boundary conditions. Vectorization. VdW Gas.
XIV. Selected topics
Neural network. Protein folding. Least square fit and 2 fit; Linear fit. Transfer
to linear fit. Introduction to density functional theory (DFT)