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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3
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1answer
126 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.
19
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5answers
2k views

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 ...
2
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2answers
320 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 ...
0
votes
1answer
175 views

Filtering and extracting turbulent data from instantaneous dataset

I have collected data on flow velocity at 1 Hz sampling rate for 25 hours using a high resolution acoustic Doppler current profiler (HR-ADCP). how I can decide up to which period is the mean ...
7
votes
2answers
2k views

Should acceleration be included in state vector of a Kalman filter?

I'm developing (actually adopting existing solution) a Kalman filter to model motion of a vehicle (UAV or automobile). The state vector will include position, velocity, and, possibly, acceleration. ...
3
votes
1answer
567 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) ...
4
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2answers
1k 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 $\mu=\hbar=1$): ...
10
votes
5answers
3k views

How useful is programming in physics?

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), ...
7
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2answers
4k views

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 ...
4
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2answers
1k 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 ...
4
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3answers
358 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, ...
12
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1answer
3k views

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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votes
2answers
79 views

Standards for scientific metadata in common-use image formats? [closed]

I have a bunch of JPEG, JPEG2000 GIF and PNG files that in theory could be used for some types of science analysis if there were temporal and spatial information in them. Years ago, I had looked into ...
5
votes
3answers
425 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 ...
1
vote
1answer
182 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? ...
8
votes
1answer
2k 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 ...
14
votes
5answers
803 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 ...
5
votes
3answers
369 views

Supergravity calculation using computer algebra system in early days

I was having a look at the original paper on supergravity by Ferrara, Freedman and van Nieuwenhuizen available here. The abstract has an interesting line saying that Added note: This term has now ...
3
votes
2answers
343 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 ...
7
votes
2answers
1k 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 ...
7
votes
4answers
901 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 ...
8
votes
1answer
708 views

What is the status of applying numerical analysis to QM/QFT problems

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 ...
5
votes
3answers
247 views

Simulate a physical impact of objects made of finite, small elements

I want to simulate an impact between two bodies according to gravity, and eventually considering other forces to stick matter together. I'd like to use python to do this, but I am open to ...
3
votes
1answer
226 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. ...