National Institute of Technology Rourkela

राष्ट्रीय प्रौद्योगिकी संस्थान राउरकेला

ଜାତୀୟ ପ୍ରଯୁକ୍ତି ପ୍ରତିଷ୍ଠାନ ରାଉରକେଲା

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Syllabus

Course Details

Subject {L-T-P / C} : PH4074 : Computational Physics Laboratory { 1-0-3 / 3}

Subject Nature : Practical

Coordinator : Jyoti Prakash Kar

Syllabus

Module 1 :

At least six problems from the following list have to be completed.

Module 1: (6 hours)
1. Interpolation (Lagrange method).
2. Numerical integration (Simpson & Trapezoidal method).

Module 2: (6 hours)
3. Differentiation (Runge-Kutta method).
4. Numerical solution to partial differential equations.

Module 3: (6 hours)
5. Solving Schrödinger equation for quantum harmonic oscillator or square well potential (finite and infinite).
6. Phase-space analysis of non-linear physical systems.

Module 4: (6 hours)
7. Introduction to Machine Learning. Linear regression.
8. Introduction to classical Monte-Carlo (MC) simulation. MC simulation of 2D Ising model.

Module 5: (6 hours)
9. Problems based on Central Limit Theorem.
10. Problems based on Power-law distribution.

Module 6: (6 hours)
11. Protein folding problem using Monte Carlo method.
12. Simulating chemical equilibrium of a gas using random numbers.

Course Objective

1 .

To learn the fundamental computational techniques to solve mathematical and physical problems numerically.

2 .

To learn development and optimization of the programming skills to study various physical systems.

3 .

To learn plotting, visualizing, and analyzing simulation results with an appropriate theoretical physics background.

Course Outcome

1 .

At the end of the course, students will be able to learn
CO1: Application of numerical techniques to find derivatives, integrations, and solve differential equations.

CO2: Simulations to understand various physical systems.

CO3: Monte Carlo method and its use in magnetic and bio-physics systems.

CO4: Brief idea about machine learning and its applications.

Essential Reading

1 .

S. C. Chapra, Numerical Methods for Engineers, McGraw Hill Education India Private Limited.

2 .

D. P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, Cambridge University Press.

Supplementary Reading

1 .

R. H. Landau, M. J. Páez, C. C. Bordeianu, Computational Physics: Problem Solving with Computers, Wiley VCH.

2 .

S. Koonin and D. Meredith, Computational Physics: Fortran Version, Westview Press.