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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Difference between Enzo & Gadget astronomy simulation codes

Enzo and Gadget are simulation codes used in astronomy. What are the largest differences between them both in terms of physics they simulate and in their implementations?
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Importance sampling for Coulomb potential

The integral I have to solve is: $$I=\int\int d \mathbf{r}d \mathbf{r}' \frac{\Phi(\mathbf{r})\Phi(\mathbf{r}')}{|\mathbf{r}-\mathbf{r}'|}$$ It is a six-dimensional integral which I am going to ...
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1answer
60 views

What is the velocity of Sun due to Earth alone?

If Earth and Sun were in a isolated system, will the Earth's motion around Sun will be similar? What will be Sun's and Earth's velocity when Earth is at its aphelion? Please note that it's not a ...
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12 views

Modelling Fourier Transform Profilometry

Basically I want to simulate a surface profilometry technique through Matlab. For that I want to create a GUI with controls for generating a grating pattern of light at a particular angle with respect ...
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2answers
70 views

Why is my two body model not working? [on hold]

I have created a simple 1 Dimensional two body particle model in C++. In the model, particle 1 starts at position (0,0) and particle 2 starts at position (1,0). The particles are accelerated towards ...
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50 views

Julia in computational physics [closed]

What are the benefits and drawbacks of using Julia in developing physics models? Traditionally, C/C++ and Fortran (and some Java) have been used in any serious computational physics projects, while ...
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46 views

Limitations of Quantum Simulations on a Classical Computer

My question is on the simulation of a quantum computer on a classical machine. I understand that a classical computer to simulate any quantum algorithm--the problem is that the quantum computer does ...
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36 views

Using a mask with a (2D) Fourier Transform

For a project I'm working on, I (1) take a (gaussian) random field of 256x256 pixels, (2) apply numpy's fast fourier transform (numpy.fft package), (3) filter the k-space image (using a Tukey ...
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1answer
37 views

Sampling a 2-dimensional surface: How many samples along X & Y axes?

I have a set of first 25 Zernike polynomials. Below are shown few in Cartesin co-ordinate system. z2 = 2*x z3 = 2*y z4 = sqrt(3)*(2*x^2+2*y^2-1) : : ...
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73 views

What is this nested bracket notation?

The following is an excerpt from K. Varga's paper, Precise solution of few-body problems with stochastic variational method on correlated Gaussian basis: ...The function $θ_{LM_L}(\mathbf{x})$ in ...
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1answer
63 views

How to calculate impulse force on collision?

I've made a program which is supposed to simulate free fall of a ball on a ground. For collision with the ground I relied on calculating the impulse force with the answer in this Phys.SE question ...
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17 views

Is there any way I can tell whether increase in total energy in molecular dynamics simulation is due to large time step or not?

Does increase due to large time step has any type of signature that will tell for certain (or almost certainly) that that is the reason?
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73 views

Which units should I use in molecular dynamics simulation?

I have written a simple molecular dynamics simulation program. The simulation runs fine but the physical properties (in particular, I have calculated temperature) are off by many scales. I understand ...
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2answers
89 views

Is there any untamed physics in the CPU?

In a x86/amd64 CPU could I find an instruction or a combination of instructions that leak inside the system? Could some other physics properties (not accounted by the design) be measured or interacted ...
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116 views

Precession of Mercury (Python simulation)

I was trying to simulate the precession of Mercury based on the perturbed solution, and my questions about its implementation in python can be seen here: ...
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5answers
312 views

Resolving General relativity and Newtonian mechanics to a computer [closed]

I know this is considered an old subject long ridiculed by many as the folly of layman. But I work in the field of computer simulation, specifically in producing fully functional 3D interactive ...
19
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3answers
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Programming in physics [closed]

How important is programming in physics? I am studying physics at university and these first years there is actually no approach (as it is understandable) to what working in physics is like. Now, I ...
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0answers
36 views

What exactly is closed orbit theory and what assumptions go into it?

I am just beginning a research project on the study of closed orbits, specifically as related to hydrogen, and I wanted a little bit more information on what exactly makes something a "closed orbit". ...
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2answers
43 views

Correlation energy - is it the difference between the Hartree-Fock energy and exact energy, or Hartree-Fock PE and exact PE?

For some reason I can't find anything stating it either way explicitly. What I'm talking about is this. Is this difference referring to potential energies or just energies in general? I assume it's ...
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2answers
71 views

What is the fastest algorithm to solve a Nonlinear second order differential equation numerically

I am trying to solve a second order non linear differential equation in one variable. Using RK4 I am getting good accuracy and is working fine. But the problem is my range is very high so it will ...
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2answers
63 views

Numerical modelling of a step function in time in a hydrodynamic system. (Runge Kutta fourth order)

So I'm trying to model a hydrodynamic system that introduces a sudden "jump" in the value of a function at a specific time. The system is solved with a Runge-Kutta fourth order method. I have a ...
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1answer
52 views

Force Needed To Maintain Velocity, Increasing Mass

Hoping somebody could give me a hand with this. Unfortunately I haven't taken physics yet, my background is in math/computer science. I'm studying computational science and the problem is essentially ...
2
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1answer
69 views

Density Matrix Renormalization Group (DMRG) Simulation of a String-Net Model

In the following paper, Dr. Xiao Gang-Wen et. al. introduce the idea that string-net condensed states can be represented in terms of tensor product states: http://arxiv.org/pdf/0809.2821.pdf The ...
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0answers
38 views

Mixed spin Ising Model

As we know ferrimagnets can be modeled by the Ising model. I came across this equation in "Compensation Temperature of the Mixed-Spin Ising Model on the Hexagonal Lattice" by W. Figueiredo, M. Godoy, ...
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1answer
82 views

Determing Velocity of Moons

I have a question that I believe is relatively easy to answer, I am working on an $N$-body simulation of a fictional star system and am having trouble finding the velocity of moons so that they will ...
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1answer
85 views

Tight binding model in a magnetic field

The standard way to treat a tight binding method in a magnetic is to replace the hopping matrix element: $t_{i,j}\rightarrow e^{i\int_i^j\mathbf{A(x)}.d\mathbf{x}}$ the so called "Peierls ...
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1answer
82 views

How to solve highly oscillating differential equation [closed]

The equation looks like: $$x''(t)+bx'(t)+c x(t)+dx^3(t)=0.$$ This is the motion of a particle in a potential $cx^2/2+dx^4/4$ with friction force $bx'$. In my case, the friction term is very small and ...
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38 views

What is the largest atom with a reliable configuration-interaction (CI) calculation?

The simplest approximation for calculating the ground state of an atom is the Hartree-Fock approximation. To get accurate result for the ground state energy, one has to do configuration-interaction ...
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28 views

Q: Any standard terminology for “gold standard” Monte Carlo solutions

The "standard" way in our field to compute scattering statistics in wave propagation problems is via a "deterministic" wave prop code operating in a Monte Carlo context where we iterate over many ...
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64 views

Connections between Density Matrix Renormalization Group and Conformal Field Theory

Can we use the density matrix renormalization group (DMRG) method to understand problems in conformal field theory? I have been trying to find some connections, but nothing is coming up when I search. ...
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28 views

What is the difference between finite displacement and linear response for calculating vibrational properties?

I see these concepts appearing in the context of calculating phonons and other vibrational properties, but I can't find a concrete explanation of the differences between linear response (DFPT) and the ...
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2answers
70 views

How to verify/falsify the existence of localised edge states numerically?

I have to consider a Hamiltonian given in second quantized form in real space $$H = \sum c_k^\dagger h_{kl} c_l \, ,$$ describing fermions on a 2d hypercubic lattice. The concrete form of the matrix ...
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0answers
72 views

How do I model this Quantum Cascade Laser (QCL) using COMSOL? [closed]

I'm trying to model this: GaAs on-top of a heat-sink made of Copper. It's trying to simulate a type of Quantum Cascade Laser, I'm looking at the effect the temperature has by running a 10V voltage ...
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2answers
78 views

Anyonic braiding statistics from density matrix renormalization group (DMRG) simulations

How does the ground state energy of the system change when we braid two anyons? Can the braiding of anyons be simulated with a computational method such as the density matrix renormalization group, ...
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1answer
34 views

Amount of unknown parameters in compressible Euler equations

I'm looking at this page for the compressible Euler equations. To me it seems, in the 1-dimensional case, there should be 3 unknowns: density, velocity, and pressure. This is because the energy $E$ ...
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1answer
85 views

Computational physics using mathematica [closed]

So I was confused about this question on how to exactly begin to answer it. I am a novice in mathematica and I am teaching myself thus I require help in this question. From what I think I should do, ...
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1answer
91 views

Finding the initial velocity vector of an orbiting body

I'm writing a program that simulates Newton's law of universal gravitation by simply calculating the force and applying it on the objects. The simulation works very well, but now I want to simulate ...
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1answer
61 views

Using the Fourier transform to find the natural frequencies of coupled oscillators

How can I find the natural frequencies of a system consisting of a pair of coupled oscillators using Fourier transforms? The System consists of two masses and three springs. One of the springs ...
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0answers
30 views

Introduction material for lattice field simulation

I am looking for introductory material of lattice field theory simulation. It is better start from simple example (e.g. \phi^4) and include some source code. Is there any on-line or book which is ...
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2answers
614 views

Numerical solution to Schrödinger equation - eigenvalues

This is my first question on here. I'm trying to numerically solve the Schrödinger equation for the Woods-Saxon Potential and find the energy eigenvalues and eigenfunctions but I am confused about how ...
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53 views

Ising Model 2D Correlation Length

I'm using Metropolis and Wolff Clustering algorithms to estimate the spin-spin correlation function $$<s_os_r>$$ I know that this is related to the correlation length but how do we determine ...
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1answer
176 views

How to measure the spin-spin correlation in a Monte Carlo simulation of the Ising model?

I'm simulating the Ising Model in 2D up to 5D and I want to calculate the spin-spin correlation, correlation length, and critical exponent of the system. What is a good way to go about doing this? ...
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59 views

Ising model Monte Carlo simulations in 4D and 5D

I'm going to be simulating the Ising Model in 4D and above to calculate spin-spin correlations and critical exponents and am wondering how to tackle this algorithmically. For example, in 1D, use an ...
0
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1answer
79 views

Probability density function of a particle for computation [closed]

I'm writing a program, part of which relies on a particle being able to change location similar to a how a real particle would behave (pardon my physics). For example, on a grid of 100x100, a ...
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41 views

Why are functional representations of systems important in physics or computational physics?

This was an addendum to a previous question I asked, but I figured I should make it it's own discussion. Assuming I am able derive a functional representation for any dynamical system (dissipative, ...
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2answers
118 views

Leapfrog method in Particle-in-cell

Recently I wanted to write a 3D electromagnetic Particle-in-cell code with c++.I know that I should use leapfrog method.For example,when I calculates the position and velocity of particles,i should ...
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3answers
84 views

Is it possible to reconstruct the wavefunction of a molecule from a collection of spectra?

Spectra of a molecule can be calculated if the wavefunction is known. Is it possible to do the opposite?
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190 views

Problems while numerically computing band structure using k.p theory

I want to use k.p theory to numerically compute the band structure of a bulk semiconductor. The band I like to include are the lowest conduction band (cb), the heavy-hole (hh), the light-hole (lh) and ...
2
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1answer
43 views

Hard processes in particle collisions

This is in reference to a MC generator called Pythia, but has wider applicability because the phrases are used widely in particle phyiscs, even though I have not managed to find a clear, ...
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1answer
42 views

Cellular automata and time T

Reading around about various CA models I saw that there are even those who are following the track to provide a single mechanicist model of the universe. For example Gerard van 't Hooft claims that ...