computational physics

implemented so far

classical scattering -- need to correct the codes to fix the difference between the theoretical and simulated values.
ising model in 1d and 2d -- to be implemented in C/C++, followed by an implementation using MPI.
molecular dynamics using the velocity verlet algorithm -- need to correct the radial distribution function to consider constant bin size instead of leaving it up to matplotlib.pyplot.hist -- correct the parallelized implementation to measure force
NVT hard ball using monte carlo -- correct the radial distribution function
NVT and NPT using monte carlo -- correct the radial distribution function -- correct the parallized implementation to measure force
RK2 and RK4 to study a simple harmonic oscillator -- refer to this lecture notes on the Runge-Kutta-Fehlberg method of adaptive step size RK
adaptive step size rk methods - step halving method and step scaling RK-Fehlberg method

to implement

quantum scattering
anharmonic oscillator using RK4, coupled harmonic oscillator and n-coupled harmonic oscillator
unbrella sampling and the free energy of a polymer
entropic sampling, entropy of an ising model and it's free energy
differential equation solver i.e solutions to the wave equation and the heat equation

Name		Name	Last commit message	Last commit date
Latest commit History 97 Commits
.ipynb_checkpoints		.ipynb_checkpoints
html_files		html_files
num_methods		num_methods
py_files		py_files
Classical Scattering.ipynb		Classical Scattering.ipynb
Molecular dynamics.ipynb		Molecular dynamics.ipynb
README.md		README.md
README_mpi		README_mpi
SchEq.m		SchEq.m
Untitled1.ipynb		Untitled1.ipynb
Untitled2.ipynb		Untitled2.ipynb
a.out		a.out
adaptive_step_size_rk-fehlberg.ipynb		adaptive_step_size_rk-fehlberg.ipynb
columb_scattering.m		columb_scattering.m
coulumb.py		coulumb.py
erratum_notes_comp_phy		erratum_notes_comp_phy
gaussxw.py		gaussxw.py
intro_to_c.c		intro_to_c.c
ising.c		ising.c
ising_model_1d.ipynb		ising_model_1d.ipynb
ising_model_2d.ipynb		ising_model_2d.ipynb
ising_monte_carlo.c		ising_monte_carlo.c
mol_dyn_mc_ising.ipynb		mol_dyn_mc_ising.ipynb
moleclar_dynamics_working.ipynb		moleclar_dynamics_working.ipynb
mpi_ising_model.c		mpi_ising_model.c
npt_mc.ipynb		npt_mc.ipynb
nvt_mc.ipynb		nvt_mc.ipynb
omp-matmat-three-parallel.c		omp-matmat-three-parallel.c
parallel_prog_examples.ipynb		parallel_prog_examples.ipynb
parallel_vs_serial_md.ipynb		parallel_vs_serial_md.ipynb
quantum_scattering.ipynb		quantum_scattering.ipynb
rk2_simple_harmonic_oscillator.ipynb		rk2_simple_harmonic_oscillator.ipynb
rk4-rk5_shifted_gaussian.ipynb		rk4-rk5_shifted_gaussian.ipynb
schrodinger_equation.ipynb		schrodinger_equation.ipynb
the_value_of_pi.html		the_value_of_pi.html
the_value_of_pi.ipynb		the_value_of_pi.ipynb
the_value_of_pi.py		the_value_of_pi.py
trapezoidal.c		trapezoidal.c

rahulporuri/computational_physics