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 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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85 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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3answers
144 views

Textbook recommendation for computational physics

Can anyone recommend some good textbooks for undergraduate level computational physics course? I am using numerical recipe but find it not a very good textbook.
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652 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 ...
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323 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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919 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
69 views

Connection between bond-dimension of a matrix product state and entanglement

The bond dimension is the dimension of the truncated matrix product state (MPS). Let us assume that I am simulating some many-body system with high entanglement via the density matrix renormalization ...
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1answer
111 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
101 views

Hartree Fock equations

I don't understand how the Hartree Fock equations define an iterative method! For this discussion, I am referring to the HF equations as described here: click me! Basically if you guess a bunch of ...
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1answer
166 views

Numerical solution for Friedmann equations

My problem today is to solve the Friedmann equations, for those who aren't familiar with them, here they are (in my specific case): $$ \left ( \frac{\dot{a}}{a^2} \right )^2 = \frac{\rho_1}{a^4} - ...
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811 views

Gas viscosity at high pressure, high temperature

EDIT 1 PER COMMENTS I am wanting to model nitrogen gas viscosity as a function of pressure and temperature OR learn of an existing equation that models nitrogen viscosity for the pressure and ...
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1answer
320 views

Turning a finite difference equation into code (2d Schrodinger equation)

I am trying to convert the following finite difference equations into code (taken from the bottom of page 12 of this thesis by Maike Schulte Numerical Solution of the Schrodinger Equation on Unbounded ...
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1answer
134 views

Is there a normalized form of the Euler equation discretized with finite volumes?

I want to calculate a flux on my fpga using the Euler equations with the finite volume method. Unfortunately the values of the state variables differ a lot. For example the pressure has a value of ...
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1answer
138 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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51 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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2answers
112 views

Incompressible Navier-Stokes pressure solve in simulations

I am a complete newcomer when it comes to fluid simulations. I'm currently working through some tutorials to understand the idea of of the discretized Navier-Stokes equations for numerical ...
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1answer
107 views

Kernel normalization in Smoothed Particle Hydrodynamcs

I am trying to write some code for a fluid simulation. I have read about Smoothed Particle Hydrodynamics (SPH) and my question is related to the properties of the smoothing kernel. How do I set the ...
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2answers
77 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
75 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
178 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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115 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
138 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 ...
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1answer
132 views

reversible cellular automata

Let's suppose a cellular automaton has a value $b(r,t)$ belongs to $Q$ at site $r$ and time $t$, where $Q$ is the set of possible states at each site. Let $N(r, t)$ be the values of the states of all ...
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353 views

How to decide convergence of the ensemble average in a Monte Carlo process

I am simulating electromagnetic scattering off a rough surface. The usual process is to do a Monte Carlo simulation, which is briefly described as follows. Generate a randomly rough surface, and ...
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407 views

Does the universe follow a general physical and computational principle of evolution?

Evolution is a principle in biology, whereby organisms evolve their ability to replicate and multiply in numbers over successive generations. From a computational point of view, the organisms employ a ...
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1answer
619 views

Calculating Kramers-Kronig using Mathematica [closed]

First of all, I know there is a Mathematica group in beta, but I don't think the problem of the following is directly a Mathematica issue. I am trying to calculate the change of the refractive index ...
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1answer
64 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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1answer
60 views

Formulating a symplectic integrator for a non-local Hamiltonian

I recently asked two questions, Q. [1] and Q. [2], regarding reformulating non-local Lagrangians as Hamiltonians. In these questions, the Hamiltonian is formulated as an integral because of it's ...
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1answer
219 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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1answer
220 views

Can I use Runge-Kutta to solve these equations?

Edit: I'm going to give some more background and derivation to show how I got to these equations. I am basically following the derivation that is found in the appendix of the following paper: ...
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1answer
96 views

Heat equation with heat radiation and heat transfer

If I want to calculate steady temperature distribution on a one-dimensional stick, and I need to consider both the heat radiation and heat transfer, then my equation will be in the form: $$ ...
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1answer
89 views

Thermal conduction through 1D rod with changing thermal diffusivity?

I've been working with solving partial differential equations in 1D numerically using the finite difference scheme. My case is for example this: I've got a rod that's insulated around the sides such ...
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1answer
413 views

Why is the ground state energy of the Heisenberg XXZ Model unbounded for some values of $J$?

At the moment, I'm looking at numerically studying the Heisenberg XXZ model. The Hamiltonian is given below: $$ H=\sum_{j=1}^{N-1}\left(J S_j^z ...
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153 views

A puzzle of thermalization in simulating the 3D XY-model

I am learning the classical Monte Carlo simulation. When I simulate the 3D XY-model $$ \beta H = -\beta J \sum_{<i,j>} cos(\theta_i-\theta_j) $$ where $\beta$ is the inverse of the temperature ...
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164 views

Ground state Phase Diagram of Bose-Hubbard Model

The Hamiltonian of Bose-Hubbard model reads as $$H=-J\sum\limits_{<i,j>}b_i^{\dagger}b_j+h.c.+\frac{U}{2}\sum\limits_{i}n_i(n_i-1)-\mu\sum\limits_in_i~~~~~~~~~(1)$$ For this we plot phase ...
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1answer
67 views

Calculate Euler equations of fluid dynamics without division?

I'm working on the calculation of the Euler equations with the finite volume method. Unfortunately I'm not allowed to do a division. So I'm wondering if there's a form which does not need a division. ...
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1answer
131 views

Rigid body collision, 3 circles in contact

I'm working on a 2d physics simulation. It's a continuous time simulation, that is, it uses swept shapes over the time-frame and geometrical/vector 'analysis' to determine most immediate time of ...
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1answer
97 views

Motion of rigid body system in absense of work

In the absence of work on the system, is there a closed form equation for the motion of a set of constrained rigid bodies (let's say, using Revolute (ie: simple pivot) constraints)? If the bodies are ...
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1answer
80 views

what is two species Bose Hubbard Model? what chage it takes on Fock basis representation?

The Hamiltonian will look like \begin{equation} \ H= -t^a\sum_{<i,j>}^{}(a_i^\dagger a_i + h.c.)-t^b\sum_{<i,j>}^{}(b_i^\dagger b_i + ...
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1answer
625 views

Magnetic field of permanent magnet [closed]

Hi I am looking for some code to (computationally) calculate the magnetic field of a rectangular permanent magnet in 3D space. Preferably I could edit it to add in my own dimensions. Does anyone know ...
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1answer
127 views

Parameter determining argon phase

Currently I am working a molecular simulation to determine phases of an argon NPT ensemble using Lennard Jones potential. Mainly I use the radial distribution function to determine solid, liquid, or ...
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1answer
329 views

Help: 3D visualization of magnetic field around moving point charge

The diagrams I'm able to find online only show the concentric field lines in the particle's plane, perpendicular to the motion, which of course generalizes to the cylindrical shape around a conductor. ...
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2answers
302 views

Where does Computer Science background students fit in Theoretical Physics [closed]

I am basically an Electronics student - background in computer science (that's where I want to work). I applied for an internship in USA in a research institute where the group is focused in ...
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1answer
290 views

Numerical algorithms to generate a random wavefunction from a thermal ensemble

I am seeking an algorithm to generate a random wavefunction = $\sum {c_i |\varphi _i\rangle }$ from a thermal ensemble, whose density matrix $\rho \sim e^{-\beta H}$, without the need to diagonalize ...
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1answer
183 views

What software can I use to simulate supersonic gas particle flow? [closed]

Please please help me out with this. I am trying to find a software/program that I could use the simulate the scattering effect of light when it strikes gas particles moving at supersonic speeds? ...
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1answer
20 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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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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23 views

Computational method for finding edge states?

I am actually interested to learn how to calculate edge states in 1D topological systems using computational methods, Q. can anyone tell me which method is best suited and easy to calculate edge ...
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66 views

What are the differences between the Jetphox, Pythia and Herwig event generators?

I know Jetphox is a parton-level event NLO generator program. But I want to know more about other generator programs such as Pythia and Herwig. What are the differences? I am undergraduate student so ...
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67 views

Selecting physical solutions in numerical eigenvalue problems

I try to solve a certain time-independent Schrodinger equation numerically, using the method of finite differences. My boundary conditions are such that the finite difference method gives me an ...