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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buiding circuits from color superconductors

caveat: the sort of exotic matter engineering in here is currently beyond the reach of our technology, but, that having been said: Has their been any research on building models of these sorts of ...
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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 ...
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65 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, ...
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115 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 ...
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187 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 ...
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563 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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135 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 ...
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56 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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529 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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438 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
468 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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120 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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49 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 ...
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120 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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157 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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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, ...
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209 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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82 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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50 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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124 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 ...
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407 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
119 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
238 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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98 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 -$1/r$. ...
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64 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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251 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
392 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
17k 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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150 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
291 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
205 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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51 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 ...
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95 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
549 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
116 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
10 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 ...
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1answer
39 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): ...
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0answers
61 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 ...
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50 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
92 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
171 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 ...
2
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0answers
51 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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426 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
115 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
748 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
70 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
926 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
304 views

Acceptance probability 2D Ising Model

Disclaimer: I just found a possible solution - eventhough i don't really understand, whats wrong with my prior approach. Edit: I just tried to calculate it from scratch and found the following: $E ...