# Questions tagged [computational-physics]

Computational physics is the study and implementation of numerical algorithms to solve problems in physics for which a quantitative theory already exists.

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### Are there simple ways to numerically solve the time-dependent Schrödinger equation?

I would like to run some simple simulations of scattering of wavepackets off of simple potentials in one dimension. Are there simple ways to numerically solve the one-dimensional TDSE for a single ...
16answers
9k views

### Good examples of “two is easy, three is hard” in computational sciences

I recently encountered a formulation of the meta-phenomenon: "two is easy, three is hard" (phrased this way by Federico Poloni), which can be described, as follows: When a certain problem is ...
5answers
5k views

### What language should I use when teaching an undergraduate course in computer programming?

Going to teach students of undergraduate level a course titled Introduction to Computer Programming. I am confused a bit. In Computational Physics scientists use C/C++ or Python or Fortran,CUDA etc.......
2answers
272 views

### Quality of linear congruential generators for random numbers

I'm doing some simulations of the Langevin equation, for various external forces. Being told that C's rand() from stdlib.h can ...
2answers
6k views

### How do I plot the surface of a 4D plot?

I am trying to plot the wave function for a particle in a 3D box. This requires me to plot 4 variables: x, y, z axes and the probability density function. The probability density function is: ...
1answer
788 views

### Why is leapfrog integration symplectic and RK4 not, if the latter is more accurate?

In a system where energy theoretically should be conserved, the most accurate simulation would conserve energy (as well as giving accurate positions, velocities and etc). RK4 is more accurate than ...
3answers
1k views

### What are the differences between CFD simulations and realistic ocean/atmosphere model simulations?

The field of computational fluid dynamics (CFD) is dedicated to solving the Navier-Stokes equations (or some simplification of them). A subset of CFD, ocean and atmospheric models numerically solve ...
4answers
526 views

### Introductory book on computational physics [duplicate]

I'm currently working on my MS in CS and have developed an interest in astrophysics. Luckily one of my professors is a astrophysicist and is currently doing research through computational physics and ...
1answer
261 views

### Why should I renormalize physical variables?

I am working with legacy physical codes and I develop new ones based on the output of them. They all use their own internal normalization of variables (for example all distances are divided by the ...
2answers
1k views

### Efficiently finding all (x,y,z) points within certain distance of point P

I am using Python, and I have a Pandas dataframe with hundreds of thousands, if not millions, of $(x,y,z)$ coordinates. I am looking to find an efficient method to index the original dataframe so that ...
1answer
404 views

1answer
107 views

### Normalizing a density matrix at each iteration

I need to numerically evolve a density matrix using this formula(Actually I have more terms but right nows I am starting with this and facing problems): $$\dot\rho(t) = -i[H(t), \rho(t)]$$ $H(t)$ is ...
1answer
323 views

### Efficient Implementation of Taylor Series for Sine

I am trying out a few forms of polynomial expression optimization, and I'd like to improve of what I've got, if anyone has anything they know is better. Implementation 1: x-\frac{x^3}{3!}+\frac{x^...
1answer
264 views

### Finite Difference Beam Propagation Method problem

I am trying to implement the finite difference beam propagation method to study the propagation of a TE light signal through a waveguide. However, my solutions are exponentially growing, and display ...
2answers
1k views

### GPU-enabled Lattice Boltzmann solvers?

Is anybody aware of any GPU-enabled Lattice Boltzmann solvers (preferably on C++/OpenCL and open-source) that would be recommended? I have found Advanced Simulation Library, but it seems to be very ...
2answers
787 views

### Darcy Flow - Solution by Finite Difference

I'd like to model the fluid flow through a porous medium using finite differences. Since I am new to this numerical technique, I have a simple question. I use the following set of equations to ...
2answers
101 views

### Computational cost comparison of DNS and SPH

I may be incorrect, but it seems like commercial graphics codes typically use smoothed particle hydrodynamics (SPH) to produce stunning simulations and not continuum based methods. Why is this? Is SPH ...
1answer
82 views

### Computation of the heat kernel from Brownian motion

This question is rather simple but I have some difficulties to find code. Let us suppose that I wrote a routine, in a given language, that computes the evolution of a particle doing Brownian motion in ...
1answer
422 views

### ground state from the Schroedinger equation with a central potential what happens to the origin

I have code that attempts to implement a solution to the Schrödinger equation where there is a central potential (more or less im thinking of hydrogen), in 1-D using the numerov method to construct ...