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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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 ...
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494 views

Church-Turing hypothesis as a fundamental law of physics

The Church-Turing hypothesis says one can not build a computing device which has more computing power (in terms of computability) than the abstract model of Turing machine. So, there is something in ...
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1answer
342 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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573 views

Home-made lattice calculation?

The topic of Lattice QCD or Lattice gauge theory or even Lattice field theory is quite old now. And the main reason for the interest in the topic is the ability to calculate nonperturbative stuff on a ...
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How are physics and computer science getting united?

How is theoretical computer science getting united with physics? Phenomena like Quantum Computing uses Quantum Mechanics to be able to compute things, how are computers helping not just to model our ...
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What do theoretical physicists need from computer scientists?

I recently co-authored a paper (not online yet unfortunately) with some chemists that essentially provided answers to the question, "What do chemists need from computer scientists?" This included the ...
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998 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 ...
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Solving Schrödinger's equation with Crank-Nicolson method

I am trying to numerically solve Schrödinger's equation with Cayley's expansion ($\hbar=1$) $$\psi(x,t+\Delta t)=e^{-i H\Delta t}\psi(x,t)\approx\frac{1-\frac{1}{2}i H\Delta t}{1+\frac{1}{2}i H\Delta ...
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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. ...
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Why is the canonical ($NVT$) ensemble often used for (classical) molecular dynamics (MD) simulations?

Molecular dynamics (MD) simulation is a common approach to the (classical) many-body problem. It relies on integration of Newton's equations of motion to simulate the trajectories of many (e.g., ...
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1answer
113 views

Minimal Extension of Wave Equation to Include Dispersion

Let's say you are modeling some process with the wave equation $\frac{1}{c^{2}}\frac{\partial^{2}\psi}{\partial t^{2}} = \nabla^{2}\psi$. You wish to improve your model by including dispersive ...
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Solving one dimensional Schrodinger equation with finite difference method

Consider the one-dimensional Schrodinger equation $$-\frac{1}{2}D^2 \psi(x)+V(x)\psi(x)=E\psi(x)$$ where $D^2=\dfrac{d^2}{dx^2},V(x)=-\dfrac{1}{|x|}$. I want to calculate the ground state ...
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1answer
491 views

Calculating Kramers-Kronig using Mathematica

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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2answers
795 views

Radial Schrodinger equation with inverse power law potential

Recently I read a paper about solving radial Schrodinger equation with inverse power law potential. Consider the radial Schrodinger equation(simply set $\mu=\hbar=1$): ...
3
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0answers
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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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1answer
52 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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2answers
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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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1answer
109 views

Can you suggest me some good resource for learning Mathematica for physics? [closed]

I am into HEP. I know nothing in Mathematica and have to start from basics. HEP requires a lot of computation for Feynman diagrams etc could you please suggest some good resource to start learning ...