# 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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### Numerical bottlenecks

On a desktop scale computer, what are the most important bottlenecks (RAM vs. CPU, single vs. multithread) for numerical calculations? I'm specifically most interested in exact diagonalization and ...
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### How to avoid density getting “deleted” in two way rigid body coupling with LBM CFD?

I've been reading this paper recently, which talks about using Lattice Boltzmann methods and two way coupling. Specifically, it outlines fluid solid coupling, and solid fluid coupling, and how simply ...
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### Is a complete bacteria simulation with an exascale supercomputer possible?

Will it be possible to simulate a complete (at least simple) bacteria atom by atom on an exascale supercomputer? or is it possible already today with the largest systems? Here, I've read that ...
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### Using MATLAB to simulate the Ising Model

I am using MATLAB to simulate a 1D Ising Chain. I am running into an issue where when trying to find heat capacity, my system has a tremendous amount of noise. I'll post my code and an image of the ...
134 views

### Consumer hardware for scientific computing?

I'm interested in problems around probability, statistics, and statistical mechanics, and often I find it useful to perform simulations to get some sense of the underlying phenomena. Example ...
42 views

### Numerical integration of the dataset of a function

The energy equation for a spherically symmetric system is given by $$\mathscr{E}=\frac{v^2(r)}{2}+\frac{c_s^2(r)}{\gamma-1}+\phi(r)$$ where $\mathscr{E}$ is the total energy, $v$ is the velocity of ...
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### Defining Current Density in a FEM model (MATLAB)

I'm attempting to solve the Poisson equation in 3D for a magnetic vector potential in the presence of a current source. To validate my code, I'm initially looking to reproduce the model described in ...
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### Evaluating an indefinite integral that has no closed form

I need to evaluate the following indefinite integral: $$I=\int\frac{x^5+2ax^3+a^2x-4a}{x^7+ax^5+2ax^4}dx=\int\frac{x^5+2ax^3+a^2x-4a}{x^4(x^3+ax+2a)}dx$$ The solution that I obtained while ...
42 views

### Smoothed Particle Hydrodynamics: Weird clustering of particles. Is that normal?

I implemented a rather simple SPH simulation using a cubic-spline-kernel and a simple non-iterative pressure solver as described in this PDF in equation 9. I followed algorithm 1 of that paper (...
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### For a determined (known) Space charge density, what are the conditions to obtain the Electric potential/field distribution? (COMSOL, MATLAB)

Theoretic part From the theory, in Electrostatics inside a real dielectric material between real conductors, in a simple 1D plane geometry between points $P1$ and $P2$, according to the current ...
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### Manual for library Libxc

Where can I find the manual for software library Libxc for exchange-correlation functionals? Links with domain www.tddft.org don't work.
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### Should the derivative of an array be calculated array by array or element by element in CFD codes?

I am making my own finite difference computational magnetohydrodynamic code in Fortran 90. Looking at other codes they appear to calculate for example their $x$-derivatives, bb of their variables, e.g....
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### Heisenberg Model python : Specific heat capacity for spin 2

I have the correct plot for specific heat capacity when I am using the formula which is $C_V$ = differentiation of entropy with respect to temperature. However, When I try to calculate $C_V$, by using ...
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### Grid Data Interpolation

What are the most sophisticated methods for interpolating a scalar field say Electric or Magnetic Field on a 3-D grid? I have scalar data on a meshgrid with equal spacing. I would like to use an ...
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### Mass matrix and BDF time integration

I have a system of nonlinear equations on the general form: \begin{align} \mathbf{M}(\bar{y})\dot{\bar{y}} =\bar{f}(\bar{y},t) \end{align} Where $\mathbf{M}(\bar{y})$ is a matrix and $\bar{f}$ is a ...