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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246 views

2D quantum well energy spectrum (analytical vs numerical)

I am trying to understand the energy spectrum difference between the analytical and the approximated solution for a quantum well. The particle is inside a box with domain $\Omega=(0,0)$X$(1,1)$. For ...
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0answers
151 views

What libraries are available for solving problems at the college physics level? [closed]

Are there any libraries available for solving problems at the level of college physics? In particular, I'm interested in libraries for general purpose programming languages that can calculate results ...
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71 views

numerical investigation of stability [closed]

I am trying to find the required specifications of an paul RF trap, in which a proton can be confined.(trap dimensions,voltage frequency and amplitude used, etc). I have to solve the equations of ...
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0answers
365 views

fun computational physics projects [closed]

I want to learn how to code in Java and am in need of some cool computational physics projects that would provide motivation to do so. I was wondering if you guys could list some medium-level ...
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0answers
41 views

bond energies database [closed]

I’m looking for a public database of bond energies of biochemical compounds. Do you know about any? Otherwise, which is the standard computational methodology to calculate them? Any references would ...
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1answer
840 views

Calculating semi-major axis of binary stars from velocity, position and mass [closed]

I'm trying to calculate the 'instantaneous' semi-major axis of a binary system with two equal (known) mass stars for an $N$-body simulation. I know their velocities and positions at a given time, but ...
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232 views

Modeling the trajectory of a particle in an Electric field [closed]

[This problem has been resolved, sorry for posting in the wrong forum!] (I was trying to model the trajectory of a particle in an electric field.)
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1answer
365 views

Boundary condition for water waves generation

I am trying to model water wave propagation in 2D with CFD. What would be a suitable boundary condition to generate the waves on the left boundary? Currently I vary the fraction of water above the ...
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0answers
128 views

Calculating collisions in realtime - dealing with a delay in time [closed]

I wasn't sure in which stackexchange to post this, since the questions deals with a lot of different topics. I've posted it first at stackoverflow, but I've been redirected here... Suppose: You're ...
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3answers
295 views

Meaning of “Gradient with respect to coordinates of particle” in SPH

I'm currently trying to implement a simple SPH simulation based on a variety of papers. However as I'm not a trained physicist nor mathematician I have a small issue with the following notation and ...
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2answers
131 views

Grand canonical ensemble with interaction, simulation doubts

First of all, this is a follow-up of my first question. The idea is the same, every state would consist of some particles in a line (with an energy associated) and the particles can not be nearer than ...
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1answer
84 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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1answer
67 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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1answer
39 views

How do we define capillary number in 2D (two dimensions)

In 3D the capillary number $Ca$ is defined as: $$Ca=\frac{\nu \rho U}{\gamma}$$ where $\nu$ is the kinematic viscosity ($m^2/s$), $U$ is the velocity ($m/s$)and $\gamma$ is the interfacial tension ...
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1answer
69 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} + ...
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1answer
29 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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2answers
56 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
85 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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1answer
57 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 ...
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1answer
35 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
89 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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1answer
244 views

My python trajectory calculator for a small mass in a gravitational field - why is energy conservation violated?

I wrote this thing to calculate the next position of a small mass, given its current position and velocity, and a vector field determines acceleration. It sort of works - except I can never get the ...
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1answer
81 views

Ideas for physics-related simulations to code up as weekend (or monthly) projects [closed]

What are some good ideas for simulations that I could try to implement/code in my spare time just for educational purposes? I'm thinking that it would be a good way for me to delve into the underlying ...
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1answer
201 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 ...
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1answer
150 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 ...
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1answer
79 views

Failure of a simple stat mech simulation

so I did a simple simulation that I thought would yield a Boltzmann distribution, but it failed to, and I was wondering if anyone has insight into why it failed. Ok, so I had a simple discrete system ...
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1answer
156 views

Reference-request: Computational science and physics [closed]

I'm interested in the following question: Is Nature computable at it's most fundamental level? Can anyone suggest any works (books, papers / articles, reviews) related to the above question? ...
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1answer
178 views

Filtering and extracting turbulent data from instantaneous dataset

I have collected data on flow velocity at 1 Hz sampling rate for 25 hours using a high resolution acoustic Doppler current profiler (HR-ADCP). how I can decide up to which period is the mean ...
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1answer
63 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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15 views

Can we use Variational Monte Carlo for degenerate cases?

Consider Simple Example of Bose-Hubbard model $$H=-J\sum\limits_{<i,j>}b_i^{\dagger}b_j+h.c.+\frac{U}{2}\sum\limits_{i}n_i(n_i-1) . \tag{1}$$ We can solve this Hamiltonian by Variational ...
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47 views

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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15 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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56 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
39 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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1answer
95 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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19 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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2answers
78 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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0answers
40 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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29 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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32 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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1answer
65 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
57 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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0answers
45 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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19 views

Why breakdown voltage decreases with increasing FWHM of an asperity?

I am running a simulation for a dielectric breakdown. I am getting breakdown voltage decreases with FWHM, which does not make sense as field enhancement is higher for a small width. Simulations solve ...
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1answer
35 views

2D room with electron-point-charges (stability)

Is there a fast way to find out stable #"point charges" & constellation for this kind of Simulation. The 2D repeating itselve in each direction till infinity, so i've a kind of symetrie here. ...
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27 views

Optimize locations of vertices and edge length using physics without simulation

I have a directed graph with set of vertices and edges. Each vertices don't have a position coordinate to be displayed on 2D computer screen. I want to add unique position coordinate to each vertices ...
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35 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 ...
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96 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 ...
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41 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 ...