Tagged Questions

Subdiscipline of theoretical physics which consists in the study of physics problems using numerical algorithms. PLEASE NOTE that questions about computational methods and/or programming are OFF-TOPIC on Physics.SE.

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2
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0answers
20 views

Least action principle — numerical simulation strangeness

I'm trying to get some experience with the least action principle, and for this I chose a simple 1-dimensional problem of a particle moving in some field. The least action principle would then look ...
2
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0answers
53 views

Ray tracing in General Relativity

I would like to find out what one would see at the Schwarzschild radius of a massive non-rotating black hole, if the black hole is surrounded by a bright ring. For that, I would place the observer at ...
0
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0answers
13 views

Adams-Moulton and BDF methods

1.What are the differences between Adams-Moulton and BDF methods. Which one is better and which one computes the solution faster? I think Adams-Moulton is a better method as it can get to the ...
0
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0answers
10 views

How to calculate a Mooney-Rivlin material

Well, I'm working on a fsi (fluid-solid/structure interaction) model. I've got ready the fluid part, now I need to get ready the solid part. Since I'm working with tissues, I need to use an ...
0
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0answers
15 views

need some references in molecular dynamics simulation

I Just start we a new model on my project and I will need to work with Molecular dynamic simulation. I have to simulate dynamics of many filament inside a network (actomyosin network).The problem is ...
1
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0answers
23 views

How to compute matsubara frequency summation over computer?

Matsubara frequency sum usually takes the following form: $S_\eta = \frac{1}{\beta}\sum_{i\omega_n} g(i\omega_n).$ But in my problem, $g(i\omega_n)$ is a lengthy expression, which can not be ...
1
vote
1answer
74 views

Turning a finite difference equation into code (2d Schrodinger equation)

I am trying to convert the following finite difference equations into code (taken from the bottom of page 12 of this thesis by Maike Schulte Numerical Solution of the Schrodinger Equation on Unbounded ...
1
vote
1answer
35 views

Kernel normalization in Smoothed Particle Hydrodynamcs

I am trying to write some code for a fluid simulation. I have read about Smoothed Particle Hydrodynamics (SPH) and my question is related to the properties of the smoothing kernel. How do I set the ...
1
vote
1answer
73 views

Physical simulation in python [closed]

Is there a "standard" python package used to aid in physical simulations? What is the most popular? edit: perhaps I should have worded this question differently. Something more to the effect: Could ...
1
vote
1answer
45 views

Position based dynamics constraint scaling factor

Reading through Müller et al., Position Based Dynamics, 2007 I got lost when passing from equation (5) $$\Delta p = \frac{C(p)}{|\nabla_pC(p)|^2}\nabla_pC(p)$$ to equation (6) (and applying the ...
1
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0answers
43 views

Does Planck's constant imply limits to computing *results*

... I don't mean quantum effects limiting hardware fabrication sizing. Such small scales have for some time exhibited issues. Rather, along the lines of imagining the smallest possible divisions of ...
1
vote
1answer
18 views

How do I set up the tridiagonal matrix for a heat diffusion with layers of different thermal diffusivity?

I have Scala code that recreates the Crank-Nicolson solutions for the diffusion equations, and matches 'Excel for Scientists and Engineers' (Joe Billo, Wiley). However, I would like to be able to ...
0
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0answers
19 views

Electron scattering with CSDA simulation

I am currently in the process of writing simulation code for a "computational physics lab course" and in the present case the task is to simulate the trajectories of 20 [MeV] electrons impinging on a ...
0
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0answers
36 views

Examples of application of detour matrices in physics?

Are there any good examples of application of detour matrices in physics?
1
vote
1answer
72 views

A puzzle of thermalization in simulating the 3D XY-model

I am learning the classical Monte Carlo simulation. When I simulate the 3D XY-model $$ \beta H = -\beta J \sum_{<i,j>} cos(\theta_i-\theta_j) $$ where $\beta$ is the inverse of the temperature ...
2
votes
0answers
50 views

Textbooks on algorithms for the perturbative calculation of High energy physics

For the perturbative calculation of High energy physics, I have known some packages such as FeynArts, FeynCalc, MadGraph, CompHEP, GiNaC, and so on. But I am wondering whether there exists a textbook ...
1
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0answers
28 views

Computer coding of Perdew Burke and Ernzerho (PBE) method

I have been assigned the task to write a computer code to implement the Perdew Burke and Ernzerhof (PBE) method. Does anyone know a good reference which can make the coding of this method easier?
0
votes
1answer
35 views

Broken Thin Lens Algorithm [closed]

We all know the thin lens equation. For $o$ being a horizontal object distance and $f$ being the focal length, the horizontal image distance $i$ is described by: $$\frac{1}{f} = \frac{1}{o} + ...
0
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0answers
50 views

Monte carlo simulation for continuous spin model (e.g. XY or Heisenberg model)

Unlike the Ising model, the XY model and the Heisenberg model have a continuous spectrum. So one need discretize them for a numerical simulation. But how to make sure the discretization procedure ...
1
vote
3answers
113 views

Why does the Metropolis algorithm allow changes even for ∆E > 0?

In the Metropolis Monte Carlo algorithm, why can you accept changes even for ∆E > 0 (provided that a random number is less than a given probability ratio, e.g. exp(-β∆E))?
1
vote
1answer
69 views

Question about Metropolis Monte Carlo in the case of equal energies

If configuration A is equal to configuration B in a Metropolis Monte Carlo method, do you still do the attempted update?
2
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0answers
21 views

Coefficients and Parameters for contracted Gaussian basis sets

This is a repost from Chemistry.stackexchange in the hopes that someone here will be able to help me. Any help at all would be greatly appreciated. As far as I understand, an STO-NG contracted ...
2
votes
1answer
56 views

Unexpected eccentricity in moon orbit simulation

I've used Mathematica's NDSolve function to calculate the orbit of the Moon around the Earth. I used the following initial positions (perigee): ...
3
votes
1answer
59 views

Complex semi-definite programming

I'm doing some calculations and I want to simulate them in python or matlab (or whatever). However I use hermitian matrices and I don't really manage to find a library which enables me to calculate ...
2
votes
2answers
103 views

Modeling a potential well

I attempted to simulate the interaction of a moving particle and a potential well in Mathematica. The particle should experience a force of -$1/r^2$, if the equation for the potential well is -$1/r$. ...
1
vote
1answer
61 views

Is there a normalized form of the Euler equation discretized with finite volumes?

I want to calculate a flux on my fpga using the Euler equations with the finite volume method. Unfortunately the values of the state variables differ a lot. For example the pressure has a value of ...
1
vote
0answers
39 views

XCrysDen Structure file [closed]

Does anyone know how to directly convert a .cif file to a Xcryden structure file(.xsf) ? I know how to extract the lattice vectors and the atom positions from a .cif file, but don't whether the .cif ...
3
votes
2answers
156 views

Boundary Element Method or Boundary Integral Method Computational Aspects

I have to solve a Helmholtz equation inside a simply connected domain. I know that in general the boundary integral can be written as, $$\phi(x)=\int_V G(x,x') \rho(x')\ d^3x'+\int_S ...
4
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0answers
95 views

Nature as a calculator [closed]

I wondered whether physical experiments can find the outcome of otherwise intractable mathematical problems. For example, solitons or other non-perturbative effects in QFT cannot be seen at any ...
0
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0answers
36 views

Poisson equation solver with specific boundary condition

I want to solve 2d Poisson equation with this Boundary conditions below $$u(-5,y) = 0 , \\ \frac{\partial u(x,y)}{ \partial x} = 0 \,\,{\rm at}\,\, x = -5\\ u(x,-5) = u(x,5)$$ Now my question is ...
2
votes
0answers
63 views

Doing numerics in physics [closed]

Soon, I am going to write my master thesis in theoretical physics. I assume there, and later on in my career, I will have to do more serious numerics than I did up to this point. That's why I want to ...
1
vote
1answer
69 views

Ground state Phase Diagram of Bose-Hubbard Model

The Hamiltonian of Bose-Hubbard model reads as $$H=-J\sum\limits_{<i,j>}b_i^{\dagger}b_j+h.c.+\frac{U}{2}\sum\limits_{i}n_i(n_i-1)-\mu\sum\limits_in_i~~~~~~~~~(1)$$ For this we plot phase ...
0
votes
0answers
23 views

Verlet timestep

I am using velocity Verlet in molecular dynamics. Is just a simple question, if a simulation using time-step femtosecond, in velocity Verlet is just necessary $dt = 10^{-15}$ to use femtosecond?
1
vote
0answers
61 views

Which are the good universities for doing PHD in computational physics? [closed]

Currently i am doing MSC(physics) from Pune university, India. And I want to do PHD in computational physics as it interests me the most. So I want to know which universities will be a good option for ...
1
vote
1answer
51 views

Calculate Euler equations of fluid dynamics without division?

I'm working on the calculation of the Euler equations with the finite volume method. Unfortunately I'm not allowed to do a division. So I'm wondering if there's a form which does not need a division. ...
2
votes
1answer
75 views

Numerical Ising Model: Swendsen–Wang algorithm, Percolation theory?

When you look at the original paper of Swendsen and Wang in 1987: "Nonuniversal critical dynamics in Monte Carlo simulations" it is somewhat mentioned that the proposed algorithm uses percolation ...
1
vote
2answers
65 views

Difference in calculated and simulated ellipsies

My task here is to determine orbit parameters, using current values: $\mu=GM$ - standard gravitational parameter $r$ - distance to the object with Mass $M$ $v$ - speed of the object in the point $r$ ...
0
votes
0answers
25 views

Computational package to find the ground state of a particle in 3D domain

I am developing a numerical algorithm to find the ground state of a Hermitian matrix. Obvious applications are quantum many-body systems and particles in various potentials. I am a little stuck with ...
3
votes
1answer
94 views

Euler Equations, Sod shock tube & conservation

Conservation of momentum? I am considering the Euler equations in conservative form and solving the Sod shock tube problem I have written a Godunov finite volume type solver. It solves for density ρ, ...
2
votes
0answers
62 views

Euler equation with single state variables [duplicate]

I want to simulate a flow using the Euler equations. For this reason I'm wondering if there's a modified version of the Euler equations. At the moment my formula looks like this: $$ ...
0
votes
0answers
62 views

Need help simulating a fan

I'm trying to write some code to approximately simulate a number fans in an arbitrarily shaped room. I'm not real strong in physics, and could use some help. If it helps I'm not interested in fine ...
8
votes
2answers
391 views

How do I calculate the Reynolds number in multiphase flows?

I am modeling a gas flowing through a liquid. How do I calculate the Reynolds number in multiphase flows? And, at what Reynolds number should I consider the flow to be turbulent? The problem is of a ...
3
votes
1answer
61 views

Update velocity or position first in computation?

I am trying to make a simulation of a vibrating string. The string is divided into $n$ points, and each point along the string is acted upon by a force due to the positioning of its neighbors. I ...
5
votes
1answer
254 views

Numerical analytic continuation for Green's function

Recently, I happened to hear about the possibility of doing analytic continuation numerically. That sounds attractive for the ubiquitous $\mathrm{i}\omega_n\rightarrow\omega+\mathrm{i}0^+$ procedure, ...
0
votes
0answers
41 views

How to easily calculate lengths (or relative lengths) of paths between symmetry points in BZ

I am trying to easily calculate the length between special kpoints within the BZ of the 32 point groups in a crystal system. I am calculating the lengths in order to scale k point sampling along these ...
7
votes
3answers
193 views

Runge Kutta Method for a Lindblad Equation

I am solving a Lindblad equation for a dissipative Harmonic Oscillator. My Hamiltonian is time dependent, My Lindblad Equation can be written as \begin{equation} ...
4
votes
1answer
93 views

Discretizing the Wave Equation in polar coordinates

I want to discretize the wave equation $$\frac{1}{c^2}\frac{\partial^2\psi\left(\vec{r},t\right)}{\partial t^2}=\triangle\psi\left(\vec{r},t\right)$$ in polar coordinates. I find the following ...
13
votes
3answers
475 views

What limitations are there in measuring physical properties accurately?

In a StackOverflow answer, I attempted to explain why a 32-bit float was perfectly adequate for representing the questioner's weight measurement: Physical properties are inaccurately measured ...
1
vote
1answer
100 views

I'm getting weird autocorrelations when simulating an Ising model below the critical temperature

So I'm simulating an Ising model using Monte Carlo and the Metropolis algorithm. After letting it reach equilibrium, I try to calculate the autocorrelation of the magnetization. As long as the system ...
6
votes
0answers
78 views

Feynman's Infinite Amount of Logic for One Tiny Bit of Space

Watching one of Feynman's lectures, I came across something that puzzled me. What was Feynman referring to when he said the following? What goes on in no matter how tiny a region of space and no ...