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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336 views

Mixed conductive and convective heat transfer

I want to make a finite element analysis of a cold airflow through warmer pipes. In particular I want to see how the pipes cool down and the air heats up, as it travels through the pipes. Wich are the ...
3
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1answer
41 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, ...
3
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2answers
108 views

Simulate the universe?

Alright, Lets assume that I have a computer with limited calculation speed (1-4GHz) but unlimited parallel processing capability and unlimited memory capacity to go with it. Under this assumption ...
3
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1answer
174 views

What states are satisfying an entropic area law and why do they satisfy it? More specificly why do matrix product states satisfy it?

I am currently reading some papers concerning the question why the density matrix renormalization group (DMRG) method is working well for simulating one dimensional systems and bad for higher ...
3
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2answers
534 views

Implementing simple atom model using density functional theory (DFT)

I am trying to write computer code which will find the energy and density function for an atom with $Z$ protons and $N$ electrons. I am working in 1D for simplicity and would like to make the overall ...
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1answer
52 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 ...
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2answers
507 views

Can I use imaginary time propagation for many-body problems?

There are various ways to numerically find the ground state energy and wavefunction of a many-body Hamiltonian. You can diagonalize the Hamiltonian and pick out the lowest eigenstate, or you use ...
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3answers
425 views

Adding rotation to internal coordinates

I'm optimizing the geometry of a system composed of several interacting masses (a molecule). The energy of the system depends on the relative position of the masses, and all velocities are zero. In a ...
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1answer
451 views

Numerical computation of the Rayleigh-Lamb curves

The Rayleigh-Lamb equations: $$\frac{\tan (pd)}{\tan (qd)}=-\left[\frac{4k^2pq}{\left(k^2-q^2\right)^2}\right]^{\pm 1}$$ (two equations, one with the +1 exponent and the other with the -1 exponent) ...
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1answer
117 views

Looking for a good introductory-level review of pseudopotential methods

I'm looking for a good introductory-level review of pseudopotential methods. In particular, I'd like to understand how the self-consistent pseudopotential methods work.
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1answer
100 views

Epsilon Tensor in FeynCalc

A few days ago I started to use the Mathematica package FeynCalc and one thing confuses me: Assume we have a four-vector $p_\mu$ and we contract it with the epsilon tensor. FeynCalc produces ...
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1answer
147 views

confusion in discrete transform to solve kronig penney matrix equation in fourier space

I have a periodic potential $$V(x) =\sum_{K}e^{iKx}V_{K} =\sum_{n}e^{\iota2\pi nx/a}V_{n} $$ where $K =\frac{2\pi n}a$ is the reciprocal lattice vector and $a$ is the lattice constant and $n =\pm ...
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1answer
120 views

How to determine predicted CP violation for a given SUSY point?

I'm currently studying at the spectra of some supersymmetric models, and would like to know whether the parameter points I'm looking at are ruled out due to excessive CP violation. I am using SPheno, ...
3
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1answer
208 views

Using Relaxation Method to Model Negative Dielectrics in an electric field?

How can you use the relaxation method to model negative dielectrics? The relaxation method is usually used to model electrostatics problems but negative dielectrics are only see in dynamic systems. ...
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0answers
75 views

What is the probability of quantum tunneling occurring in this CPU?

You may have noticed over the last few years that Moore's law is no longer applying to the real world. This observation states that over the history of computing hardware, the number of transistors on ...
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1answer
41 views

Why is the objective function used in Nudged Elastic Band method reasonable?

In Nudged Elastic Band (NEB) method, which is used to find reaction pathways when both initial and final states are know, an objective function is first constructed and then minimized to find reaction ...
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0answers
107 views

Comparison between Cadabra and other Symbolic Computer Algebra software [closed]

Does anyone has some experience about working with Cadabra and it's (dis)advantage in comparison to other Symbolic Computer Algebra software such as Maple and Mathematica (physics package) in the ...
3
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0answers
357 views

Numerical problem in solving the Bogoliubov de Gennes equations- methods to solve?

I am trying to solve an assignment on solving the Bogoliubov de Gennes equations self-consistently in Matlab. BdG equations in 1-Dimension are as follows:- $$\left(\begin{array}{cc} ...
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0answers
117 views

Difference between a Fixed Point and a Limit Point in implementations of the Renormalization Group (RNG) in Large Eddy Simulation (LES) model

In the introduction of this paper, it is explained that and how the application of a dynamic subrid scale model for turbulence into a large eddy simulation (LES) model corresponds to doing one ...
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4answers
228 views

Computer Science Modeling of Physical World

I am curious what efforts have been made to date to define virtual computer worlds based on the physics we know in the real world? I think it would be awesome to say start off with an atom defining ...
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3answers
145 views

Do algorithms have an intrinsic time direction?

This article says There is no intrinsic time direction in Newton's mechanics nor in the differential equations of the new physics. My question is, do other types of mathematics, say a cellular ...
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2answers
55 views

Sampling a distribution (from a galaxy model)

I am reading the following article: http://www.kof.zcu.cz/st/dis/schwarzmeier/galaxy_models.html and am currently at section 5.6 (positions of bodies in a galaxy). I am trying to redo the simulations ...
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2answers
244 views

Computational Science involve programming? [closed]

I read what is computational science in Wikipedia but the explanation and understanding are not very clear. So, I could you please give a simple example computational science project and what all ...
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1answer
369 views

How is acceleration computed in the leap-frog algorithm in computer simulations of particles?

I am reading the book Computer Simulation of Liquids by Allen and Tildesley (here is another link). On page 80, the authors describe the leap-frog algorithm, which is used extensively in molecular ...
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1answer
148 views

If the graph isomorphism problem can't be solved in polynomial time, do spin-networks in loop quantum gravity violate the Church-Turing thesis?

If the graph isomorphism problem can't be solved in polynomial time, do spin-networks in loop quantum gravity violate the Church-Turing thesis? To determine whether or not two graphs are isomorphic ...
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2answers
285 views

Why can't we set the lattice spacing 'a' in lattice QCD?

My question is to do with lattice QCD. In the lattice action there is a parameter, 'a', the lattice spacing in physical units. However, if we want to generate a configuration with a certain lattice ...
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2answers
202 views

numerical formulation of Dirac equation plus electromagnetic field

I have the following equations describing the electron field in a (classic) electromagnetic field: $$ c\left(\alpha _i\right.{\cdot (P - q(A + A_b) + \beta mc) \psi = E \psi } $$ where $A_b$ is ...
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1answer
16k views

How Does force relate to velocity

I had originally asked this question on math overflow and it was suggested that I ask it here. So I know that a force will change the magnitude of velocity if it is at an angle other that 90 degrees. ...
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1answer
93 views

The number of mean free paths which a particle traverses is independent of the material traversed

This is a manual from a Monte Carlo physics manual: Computing the occurrence of a process Can anyone tell me why the number of mean free paths of a particle is independent of the material which it ...
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1answer
519 views

Lennard Jones liquid vapour phase transition

I am trying to generate a phase diagram of pressure versus temperature in a NPT ensemble using molecular dynamics method. I am using the Lennard Jones potential with 108 particles and Berendsen ...
2
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1answer
113 views

Mutual Interaction of $N$-Particles in a Cartesian Plane

I am making a simulation of $N$-Particles in a cartesian plane and need help with understanding the basics. At anytime, in my particle system, I will have $N$ number of particles. I am treating the ...
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0answers
47 views

Euler equation with single state variables

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: $$ ...
2
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1answer
85 views

How much computer power would we need to model every physical aspect of the universe [closed]

So I know there are equations that give you the total energy in the Universe(Friedman). So about if we we to simulate every single interaction from neurons to physical forces, strong and weak, ...
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0answers
161 views

simple MHD simulation code for (self) education and play with [closed]

I would like some super simple computational code for solving magnetohydrodynamics problems. High accuracy nor performance is not my concern. I wan't it just to visually explore qualitative behavior ...
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0answers
50 views

Trotter splitting and entanglement entropy

I have heard that a numerical solution to the Schrodinger equation using the Trotter splitting formula for a many-body Hamiltonian can cause an artificial increase in the entanglement entropy. I was ...
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0answers
382 views

Comparison of different ab-initio codes

One may find on the web a lot of different computational packages to perform "ab-initio" calculations of electron structure of the solids. Usually, the documentation is not quite transparent about the ...
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0answers
169 views

Detailed procedures of numerical calculations in lattice models [closed]

I am looking for a reference to show me a detailed procedure of numerical calculation of a physical quantity of a lattice. I have knowledge of the physics part and I am able to find it. My problem ...
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2answers
108 views

What is a good model for computing water dropping on a surface?

Before introducing my question I would like to outline the fact that I'm a coder, so I can be wrong when using some kind of terminology. What is a good model for computing the flow, the shape and all ...
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3answers
728 views

Non-computable numbers in Physics

It is known that there are real numbers that can't be calculated (non-computable numbers). Quite probably that some physical phenomena (it is possible still undetected) depend on this numbers. Whether ...
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1answer
65 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 ...
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2answers
890 views

How do I integrate the Poisson equation to determine the electric potential along a particular direction (e.g., $z$)?

This question is a sequel of sorts to my earlier (resolved) question about a recent paper. In the paper, the authors performed molecular dynamics (MD) simulations of parallel-plate supercapacitors, ...
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2answers
220 views

How can one determine at which distance the Lennard-Jones potential reaches a given value?

My question is fairly simple, but I do need clarification on how to get the inverse of the Lennard-Jones potential V(x). I am working with the following expression: $$ V(x) = e\times[(R/x)^{12} ...
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3answers
642 views

Calculate kinematics of body movement from the set of spatial coordinates

Short intro I have a set of 3D (x,y,z) spatial coordinates of arm movement obtained using motion capture system. The example set of such coordinates looks like this (rounded up): ...
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1answer
106 views

Computational Fluid Dynamics methods

I have read some articles about the finite difference method on a cartesian orthogonal grid. I understand how it works when Dirichlet boundary conditions are used, or when Neumann boundary conditions ...
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1answer
129 views

Strange Behavior in Spring Computer Model

To learn more about oscillatory motion which I am learning about in my high school physics class, I have created a computer model of a damped spring where the damping force is proportional to ...
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2answers
59 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 $r$ ...
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1answer
58 views

Getting nonphysical results when solving for the index of refraction of a slab?

I'm trying to computationally find the refractive indices (real and imaginary) for a thin slab suspended in air (so the only indices to deal with are air and my material's). I've experimentally taken ...
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1answer
107 views

Smoothed Particle Hydrodynamics, Chemical Reactions and Stiffness [closed]

Dear people from stackexchange physics. I have been using SPH for quite a while to simulate free boundary flow, and just recently we tried to include some kind of (simple) chemical reaction in our ...
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2answers
80 views

Discrete approximation of charge density

Given the electric potential $\Phi(r)$ and the Poisson's equation: $$ \nabla^2 \Phi(r) = - 4\pi \rho(r)$$ Consider the 2-dimensional case and let's say that I want to discretize this using a square ...
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1answer
113 views

Deriving the change in the Helmholtz free energy in the context of the free energy perturbation method

I am reading Free Energy Calculations: Theory and Applications in Chemistry and Biology by Chipot and Pohorille. At the beginning of the text (page 19, for example), the authors define the Helmholtz ...