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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How do you fourier transform a tight binding hamiltonian numerically?

The task is to do a fourier transformation of a tight binding hamiltonian of a 1D-chain with unit cell size 2, but even after many tries and googling I still don't have a idea how to do it correctly. ...
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2answers
60 views

Obtaining Velocity from Acceleration

I'm following a research paper (PDF via RG), part of which is about using the accelerometer of a smartphone to assist the user's positioning via WLAN. Accelerometer is used to determine if the user ...
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2answers
88 views

Exact Diagonalization of a BdG Hamiltonian on a Finite Lattice

I would like to numerically find the edge modes of a $p_x$ + $i p_y$ BdG Hamiltonian. The lattice version is given by H = $\sum\left[-t \left(c_{m+1,n}^{\dagger} c_{m,n} + \text{h.c} \right) - ...
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9 views

Numeric fermiomic creation operators and unit cell

I have to do some numerics (e.g. FFT in Maple/Octave) on a 1D fermionic chain without forces between the particles. The description says that two sites build an unit cell. What does this mean? And ...
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1answer
56 views

Molecular Dynamics simulation question

In molecular dynamics simulations you apply and solve Newton’s equations of motion for a set of atoms to obtain real dynamical information on how individual atomic positions change as a function of ...
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1answer
58 views

Modeling transient heat transfer between two 1-D materials

So I have been working on creating a 1-D model of a material with a layer of heat resistant material stuck to it. For this I have been trying to use the implicit finite-differential method. The ...
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0answers
17 views

Coupled Diff Equation from Bose Einstein distribution [closed]

I am a student doing physics hons and have had very little experience in programming. This semester we are supposed to do a computational project in thermodynamics. I have to solve these two coupled ...
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27 views

RF cavity Field Maps using Poisson Superfish

This may be a slightly obscure question but I'm trying to use Poisson Superfish to generate field maps for single cell of an ILC SRF Cavity. There are examples in the documentation for radio ...
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1answer
80 views

Why is modelling water so difficult?

There are several models of water that have come into existence so far. Nevertheless, there is no one particular model which effectively gives all the properties of water correctly. A model like TIP3P ...
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1answer
69 views

Is it possible to understand physics and make new discoveries using computer simulation? [closed]

I'm a computer science major and I want to learn Physics. I can create computer simulations of any type. I'm not good at math that is required to learn QFT or GR,but I'm thinking is it possible to ...
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1answer
119 views

Finding the Riemann tensor for the surface of a sphere with sympy.diffgeom

I have implemented a SymPy program that can calculate the Riemann curvature tensor for a given curve element. However, I am encountering problems solving for the case when the curve element is the ...
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1answer
78 views

How do I calculate the effect of a prograde, retrograde, radial and anti-radial burn on the orbital elements of a two-dimensional orbit?

My relevant knowledge: This question works in two dimensions, with a two-body problem (see bottom for context). To my understanding, a two-dimensional orbit has the following orbital elements (3D ...
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23 views

A cantilever beam is hit with a mass. At what time will the beam loses contact with the mass?

I am currently doing computational physics and was given this question. There is a cantilever beam that is hit with a mass on the free end. We are asked to identify the time the bar loses contact ...
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2answers
81 views

What is the output of a simulation of quantum particles? [closed]

When physicists simulate a quantum system, what is the output of such computation? Is it the probability wave function of the system? What if the system consists of enough particles to be considered ...
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1answer
66 views

Calculating Reynolds number of ellipse in fluid

I know Reynolds number is calculated from the formula by including length or diameter of an object in fluid. I have a case where there is ellipse with 2a major and 2b axis. I hv learnt when the ...
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2answers
121 views

Must-know topics for Computational Fluid Dynamics (CFD)

My undergrad major was Electrical Engineering. My MS thesis is related to simulation of hydrogen movement in a complex geometry. I did take a course on Fluid Dynamics but I have to say it wasn't one ...
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0answers
71 views

Obtaining propagating solutions for Schrodinger equation from known bound states (in 2 and 3 dimensions)?

If I found all the bound states for a certaing potential in 2 or 3 dimensions (numerically), can I immediately obtain some information about the propagating solutions for the same potential (such as ...
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3answers
158 views

How to propagate $E_x (x,t) = \exp(-t^2/\tau^2-i\omega_0 t) \exp(-x^2/w_0^2)$ in finite difference time domain (FDTD) analysis

Finite difference time domain (FDTD) allows to solve differential equations for time evolution. For example, we can analyze ultra-short pulses in free space by solving the Maxwell's equations. The ...
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22 views

Numerical approach to Mean Field Hubbard Model

I am trying to produce the phase diagram of a 2D Hubbard model on a Lattice for spineless bosons. The hamiltonian of the problem is: $$ H = -t\sum_{<i,j>}(b_i^+b_j + c.c.) +U\sum_i ...
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1answer
118 views

Problems implementing Lattice Boltzmann method

I want to make a basic 2D implementation of the Lattice Boltzmann method (in javascript) to simulate gas/fluid flow, but I have run into some problems and I can't seem to find the cause of it. ...
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2answers
108 views

How Much Computing Power would be Required to Fully Simulate a Cubic Meter? [closed]

Imagine you want to simulate a cubic meter down to the particle. By following the Standard Model and other basic physical equations, how much computing power would be required to do this, in say, a ...
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2answers
114 views

Diffusion of gas into vaccum

I'm interested in solving the diffusion equation for gas in vacuum. I have a general question and a more specific questions. What I know: The Diffusion Equation: For density function ...
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1answer
36 views

Reading ensdf files

I understand that this is more of a computing question, but I still think the appropriate place to ask it is here. The Evaluated Nuclear Structure Data Files are on the internet, available for ...
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1answer
124 views

Calculation of long-range forces in Molecular Dynamics - Ewald summation

I am trying to write a code to calculate the potential and forces, for the same using ewald summation.For this purpose, the formula for potential and force I have used is : $$ U = U^{(r)} + U^{(k)} ...
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1answer
72 views

SDSS spectra FITS format: what do the rows mean?

This might be in the FITS Header, but I couldn't find it. I am looking at the FITS files for SDSS 1D spectro images from DR7 using the SDSS Data Archive Server at das.sdss.org (there might be an ...
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46 views

How does Parallel tempering work for optimisation procedures?

Markov Chain Monte Carlo procedures can be used in global optimisation procedures. Parallel tempering is a particular type of stochastic sampling, but how does it work?
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1answer
29 views

Symmetry in program for ewald summation

The formula for Ewald summation as given in Allen and Tildesley - $$ U = U^{(r)} + U^{(k)} + U^{(bc)} + U^{self} $$ where the k-space contribution of potential is given by $$ U^{(k)} = \frac{1}{\pi ...
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2answers
98 views

Langevin Equation - Stochastic Differential Equation. What are the subtleties?

I am trying to find out the motion of a particle in 3D governed by the Langevin equation, numerically. Anyway, the Langevin equation is given by $$m \ddot{x} = -(6\pi a\nu) \dot{x} + F_b $$ where ...
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1answer
29 views

Expression for spontaneous emission in solids

I have yet to find a reliable source for the expression of the rate of spontaneous emission in a solid. Can anyone confirm if the following is correct? The basic ingredients of the calculation are ...
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1answer
47 views

An impossible relationship between variables

This book chapter defines $CV$ as follows: $$ CV^2 = 2\pi\nu^2\int^\frac{V_{th}-V_{ss}}{\sigma_V}_\frac{V_{r}-V_{ss}}{\sigma_V}dxe^{x^2}\int^x_{-\inf}dye^{y^2}(1 + erf(y)) $$ However, Figure 15.2 in ...
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1answer
40 views

Solving for the firing rate of a model neuron

I'm trying to decipher Figure 15.2A on page 442 of this book chapter. It plots the firing rate $\nu$ of a model neuron against its mean current $\mu_c$. The equation used to calculate the firing ...
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0answers
45 views

How to let Pythia to output the complete event record in LHEF or StDHep format?

I am currently using Pythia 6.4 to simulate some processes (I do not have the intention to upgrade to 8). Now, I need Pythia to output its event record in the format of LHEF or StDHeP. I accidently ...
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19 views

Swendsen Wang different implementations

I have recently a confusion about the different adding probabilities of bonds in the Swendsen Wang cluster algorithms with e.g. application to the Ising or Potts model. In literature there are ...
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85 views

Two Particles in a Harmonic Oscillator with repulsive short-range potential

Do bear with me, I am attempting to learn to write some simulations on the computer and learn some simple MD, so I defined sort of a toy problem. I have two particles confined in a Harmonic Potential ...
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2answers
66 views

Guidelines for $n$-body problem inital conditions

I'm trying to solve a 5-body problem (for the sake of the argument it can be any given $n$) numerically, yet every initial condition I choose seems to eventually drive the bodies apart to infinity or ...
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0answers
37 views

Testing Bell's inequality violated by quantum mechanics [closed]

I made this code to test Bell's inequality that violated by quantum mechanics that said the max value is 2*sqrt(2), but when i run, it gave me the max value only 2. so could you please tell me what i ...
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1answer
26 views

Adding fluctuations to a hydrodynamic simulation to trigger instabilities

I'm doing a 2D combustion hydrodynamic simulation and there's a hydrodynamic instability that should be triggered because of the particular physical properties of my system. The key to the instability ...
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0answers
62 views

Calculating atomic forces from total force and torque on molecule in molecular dynamics (MD)

I guess this problem applies to any body that is composed of a small number of particles, but for the sake of simplicity and concreteness, let's consider a classical model of a molecule consisting of ...
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0answers
55 views

MEMS Accelometer and Gyroscope data fusion for counting cycles

I will simplify my scenario as follows: a 6-DOF MEMS gyroscope and accelerometer unit is placed on the edge of a rotating wheel and the goal is to count the number of cycles using any of the units of ...
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0answers
12 views

Arbitrary waveform generator (How does the input of AWG affects the output)

How should one choose the sampled input for AWG so that it gives a waveform similar to the ideal waveform? I have a dataset for voltage signal sampled over time of 1 ns, which I am entering as an ...
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25 views

Minimal possible energy to make calculation [duplicate]

Are there any restrictions to energy that must be consumed to make calculations? Can calculations theoretically be done without consuming it?
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3answers
260 views

Solving the two body problem numerically

I'm trying to solve the two body problem numerically, setting up $G$, $m1$ and $m2$ to be equal to 1. then I located each mass on positions -5 and 5 respectively along the $x$ axis and gave them both ...
3
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2answers
281 views

Rotation matrix of Euler's equations of rotation relative to inertial reference frame

I was playing with simulation of Euler's equations of rotation in MATLAB, $$ I_1\dot{\omega}_1 + (I_3 - I_2)\omega_2\omega_3 = M_1, $$ $$ I_2\dot{\omega}_2 + (I_1 - I_3)\omega_3\omega_1 = M_2, $$ ...
3
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2answers
147 views

Square root of a matrix appears in massive gravity. How to solve $\sqrt{A+B}$ perturbatively

$A=\text{diag}\{\lambda_1,...,\lambda_n\}$, where $\lambda_i$ can be any number and not necessarily a small number, $\lambda_i>0$, $B$ is a positive definite symmetric matrix, and ...
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0answers
144 views

Numerical Solution of the Propagation-Dispersion equation

I have asked this question on Computational Science and also on Mathoverflow, but no satisfactory answers so far. I thought maybe the physics community could shed some insight on the issue. I am ...
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1answer
106 views

9-point stencil “equivalent” for advection equation

So I inherited from some people a code that solves the advection-diffusion-reaction equation for a particular system. The original code was first implemented in 1D which worked fine in cartesian ...
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1answer
54 views

Lennard Jones Total system energy [closed]

i am trying to implement/extend an implementation of Lennard-Jones potential simulation regarding Xenon molecules (for curious ones, the code can be found here functions (force_naive->lj_force)). ...
0
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1answer
71 views

Classical Computation without NOT [closed]

Is it possible to do universal classical computation using bits and 2-bit gates when you cannot perform a NOT operation on a single bit (hence cant do CNOT and so on). If yes, what are the possible ...
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1answer
73 views

How to produce a 3D density map of a time-depenent system of particles?

I have a time-dependent system of varying number of particles (~100k particles). In fact, each particle represents an interaction in a 3D space with a particular strength. Thus, each particle has ...
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1answer
46 views

The meaning of $\vec {\dot r}$ in the solution of a particle's movement in the space

Suppose I have a charged particle $q$ with mass $m$, and an infinite long wire that lies on the $z$ axis, in which flows a constant current $I$. My ODE that describes its motion is $$\vec {\ddot ...