# Questions tagged [computational-physics]

Questions with this tag should be about computational physics, which is the study of physical situations with the use of software (commercial or in-house). Please note that details of writing and/or debugging code is OFF-TOPIC and should be asked at either Computational Science, Code Review or Stack Overflow.

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### What equation describes the electrostatic potential in these circumstances?

I have a solver for Poisson's equation and it works nicely. It uses finite differences. It works in the presence of multiple dielectrics. It also solves the Poisson Boltzmann equation. That is, fixed ...
496 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. ...
713 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 ...
549 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 ...
445 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 ...
371 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 ...
594 views

### Can a wavefunction be solved to any arbitrary precision, given enough computer time?

I learned that the wavefunction for the hydrogen atom can be solved analytically (we did the derivation in class), but that for more complicated atoms it is "impossible" to solve and that only ...
2k 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 ...
156 views

### How to recognize broken candies from whole ones [closed]

Let's say I have a bag full of sugar candy. Some will be whole, some will be dent, some will be broken (in part, or half, etc). Let's say I have a device with an input box where I empty the bag, and ...
227 views

### Why are Markov chains better than naive algorithm for Random picking?

I have a question about the problem of coming up with a random distribution of non-overlapping coins in a given two dimensional space. I don't understand why using the random sequential adsorption ...
4k 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, ...
1k 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 ...
706 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 ...
595 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 ...
535 views

### In condensed matter simulations, how is particle number density computed in practice?

I have been reading a recent paper. In it, the authors performed molecular dynamics (MD) simulations of parallel-plate supercapacitors, in which liquid resides between the parallel-plate electrodes. ...
788 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 ...
185 views

### Consideration of static atomic displacements in electronic structure calculations

I am hoping to discuss some details of electronic structure calculations. I am not an expert on this topic, so please forgive any abuse of terminology. It is my understanding that first principles ...
582 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 ...
1k 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 ...
9k views

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### 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 (...
757 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 ...
2k views

### Physics needed to build a top down billiards game [duplicate]

Possible Duplicate: How are these balls reflected after they hit each other? I was wondering what sort of physics equations would I need in order to build a top down billiards game? I tried using ...
3k views

### how does human brain compare to a modern CPU in energy per bit?

Can someone compare the energy efficiency of human brain as a computer ? What is the energy in joules / flop ? may be some reasonable assumptions on the computational load of common tasks such as ...
20k views

### How useful is programming in physics? [closed]

I have been wondering recently how useful programming is to a physicist. It seems fairly useful (simulations are a lot cheaper than the actual thing in many cases) in some areas (say space programs), ...
3k views

### On numerically solving the Schrödinger equation

I just read a paper 'A pocket calculator determination of energy eigenvalues' by J Killingbeck (1979). Link: http://iopscience.iop.org/0305-4470/10/6/001 I have some questions about section 2. Why \$...
479 views

### Future Computer Performance

Moore's law has succesfully predicted up to now that integrated circuit transister density doubles every two years. However, computer performance is dependent on additional factors like architecture, ...
237 views

### Church–Turing Thesis

Can the Church–Turing Thesis be proved assuming classical mechanics, how is the proof or disproof? Edited: I was looking for a proof of "everything computable by a device obeying CM is computable by ...
2k views

### Basic mechanics problems, unsolvable by brute-force numerical integration

I'm looking for simple problems in theoretical mechanics that are impossible or unreasonably difficult to solve by means of "brute-force" numerical integration of Newton or Euler-lagrange equations. ...
1k views

### How to include random force in the simulation (Classical Molecular Dynamics)

I need to implement a random force in my code according to the fluctuation dissipation theorem. I have a Gaussian distribution function ready width average 0 and distribution 1 and I know I need to ...
83 views

### Degenerated Anderson Model Simulation

I'm trying to simulate the degenerative Anderson model. So depending on an energy difference first orbital and afterwards spin magnetism occurs. First i try to solve an easier ansatz with a limitation ...
2k views

### Using Fourier Transforms to Solve Systems with springs of high frequency

I'm trying to numerically solve the differential equations of motion in a system with multiple springs of very high frequency. Because the solution is often a combination of rapidly-oscillating sine ...
3k views

### What programming languages would be helpful for a physicist to know? [closed]

From the vantage point of a physicist and the kind of problems he would like a computer program to solve, what are the essential programming languages that a physicist should know. I know C++ and I ...
524 views

### How to simulate a crashing wave? [closed]

I'd like to create a very rough animation of a wave crashing on a beach. I'm guessing it would have to be a particle simulator, where you code in the forces between the particles and then integrate ...
2k views

### Physics of simple collisions

I'm building a physics simulator for a graphics course, and so far I have it implementing gravitational and Coulomb forces. I want to add collisions next, but I'm not exactly sure how to go about ...
1k views

### Dirac equation on general geometries?

I have a numerical method for computing solutions to the Dirac equation for a spin 1/2 particle constrained to an arbitrary surface and am interested in finding applications where the configuration ...
2k views

### What is the status of applying numerical analysis to QM/QFT problems [closed]

This is something I don't ever seem to hear about, except regarding QCD ("lattice QCD"). What about QED? Is numerical integration always inferior to hand-calculating Feynman diagrams in perturbation ...