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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The use of Artificial Intelligence in physics resarch

I have been reading about a machine that observed a double pendulum and created equations that both described its motion and associated conservation laws. The authors claims: We have developed a ...
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1answer
95 views

My python trajectory calculator for a small mass in a gravitational field - why is energy conservation violated?

I wrote this thing to calculate the next position of a small mass, given its current position and velocity, and a vector field determines acceleration. It sort of works - except I can never get the ...
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0answers
19 views

Mass scaling in molecular dynamics

I've noticed some authors scale the mass of particles in molecular dynamics simulations while leaving the force field parameters the same in order to achieve materials of different densities. Does ...
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0answers
8 views

Is solving Verlet constraints parallelizable? [migrated]

I am a computer science student and I came across the Verlet Cloth simulation. An implementation is here. I was interested in how such computation would lend itself to parallelization. The problem ...
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1answer
16 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
51 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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1answer
37 views

FDM versus fdtd for computational electromagnetics

Every article I've seen on computational electromagnetics uses the Yee fdtd algorithm, and I'm wondering if would be possible to do the same analyses using out of the box FDM with more data points, ...
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1answer
31 views

Ideas for physics-related simulations to code up as weekend (or monthly) projects [closed]

What are some good ideas for simulations that I could try to implement/code in my spare time just for educational purposes? I'm thinking that it would be a good way for me to delve into the underlying ...
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1answer
80 views

How close to the critical point is sufficient close for measuring critical exponents?

I am learning Monte Carlo and just manage to simulate a phase transition by computing the heat capacity or the susceptibility. I wish I can also compute critical exponents.To this purpose, I have read ...
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1answer
401 views

Philae lander simulation off by factor of ~3

I'm trying to simulate the Philae landing by writing a program to compute the position of the lander vs time. According to various mission websites, the orbiter will match its orbit to the rotation of ...
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19 views

Optimize locations of vertices and edge length using physics without simulation

I have a directed graph with set of vertices and edges. Each vertices don't have a position coordinate to be displayed on 2D computer screen. I want to add unique position coordinate to each vertices ...
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1answer
41 views

Software for calculating the trajectory of a body in a coordinate system

I'm looking for a program, which would simulate the path of motion of a body in a coordinate system, given the force acting upon the body. I'd type in the initial conditions such as the velocity, ...
4
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1answer
119 views

Good source for numerical simulations of Wigner function?

I'm interested in simulating the time evolution of a Wigner function for a harmonic oscillator (and possibly some other potentials) and I can't seem to find a good resource for that. My background in ...
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1answer
71 views

Least action principle — numerical simulation strangeness

I'm trying to get some experience with the least action principle, and for this I chose a simple 1-dimensional problem of a particle moving in some field. The least action principle would then look ...
5
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1answer
169 views

Ray tracing in General Relativity

I would like to find out what one would see at the Schwarzschild radius of a massive non-rotating black hole, if the black hole is surrounded by a bright ring. For that, I would place the observer at ...
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0answers
16 views

Adams-Moulton and BDF methods

1.What are the differences between Adams-Moulton and BDF methods. Which one is better and which one computes the solution faster? I think Adams-Moulton is a better method as it can get to the ...
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0answers
23 views

How to calculate a Mooney-Rivlin material

Well, I'm working on a fsi (fluid-solid/structure interaction) model. I've got ready the fluid part, now I need to get ready the solid part. Since I'm working with tissues, I need to use an ...
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0answers
24 views

need some references in molecular dynamics simulation

I Just start we a new model on my project and I will need to work with Molecular dynamic simulation. I have to simulate dynamics of many filament inside a network (actomyosin network).The problem is ...
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0answers
61 views

How to compute matsubara frequency summation over computer?

Matsubara frequency sum usually takes the following form: $S_\eta = \frac{1}{\beta}\sum_{i\omega_n} g(i\omega_n).$ But in my problem, $g(i\omega_n)$ is a lengthy expression, which can not be ...
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1answer
122 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
52 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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1answer
91 views

Physical simulation in python [closed]

Is there a "standard" python package used to aid in physical simulations? What is the most popular? edit: perhaps I should have worded this question differently. Something more to the effect: Could ...
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1answer
58 views

Position based dynamics constraint scaling factor

Reading through Müller et al., Position Based Dynamics, 2007 I got lost when passing from equation (5) $$\Delta p = \frac{C(p)}{|\nabla_pC(p)|^2}\nabla_pC(p)$$ to equation (6) (and applying the ...
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0answers
47 views

Does Planck's constant imply limits to computing *results*

... I don't mean quantum effects limiting hardware fabrication sizing. Such small scales have for some time exhibited issues. Rather, along the lines of imagining the smallest possible divisions of ...
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1answer
22 views

How do I set up the tridiagonal matrix for a heat diffusion with layers of different thermal diffusivity?

I have Scala code that recreates the Crank-Nicolson solutions for the diffusion equations, and matches 'Excel for Scientists and Engineers' (Joe Billo, Wiley). However, I would like to be able to ...
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0answers
21 views

Electron scattering with CSDA simulation

I am currently in the process of writing simulation code for a "computational physics lab course" and in the present case the task is to simulate the trajectories of 20 [MeV] electrons impinging on a ...
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0answers
41 views

Examples of application of detour matrices in physics?

Are there any good examples of application of detour matrices in physics?
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1answer
87 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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0answers
53 views

Textbooks on algorithms for the perturbative calculation of High energy physics

For the perturbative calculation of High energy physics, I have known some packages such as FeynArts, FeynCalc, MadGraph, CompHEP, GiNaC, and so on. But I am wondering whether there exists a textbook ...
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0answers
29 views

Computer coding of Perdew Burke and Ernzerho (PBE) method

I have been assigned the task to write a computer code to implement the Perdew Burke and Ernzerhof (PBE) method. Does anyone know a good reference which can make the coding of this method easier?
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1answer
40 views

Broken Thin Lens Algorithm [closed]

We all know the thin lens equation. For $o$ being a horizontal object distance and $f$ being the focal length, the horizontal image distance $i$ is described by: $$\frac{1}{f} = \frac{1}{o} + ...
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1answer
93 views

Monte carlo simulation for continuous spin model (e.g. XY or Heisenberg model)

Unlike the Ising model, the XY model and the Heisenberg model have a continuous spectrum. So one need discretize them for a numerical simulation. But how to make sure the discretization procedure ...
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3answers
117 views

Why does the Metropolis algorithm allow changes even for ∆E > 0?

In the Metropolis Monte Carlo algorithm, why can you accept changes even for ∆E > 0 (provided that a random number is less than a given probability ratio, e.g. exp(-β∆E))?
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1answer
73 views

Question about Metropolis Monte Carlo in the case of equal energies

If configuration A is equal to configuration B in a Metropolis Monte Carlo method, do you still do the attempted update?
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23 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
78 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): ...
3
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1answer
63 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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2answers
108 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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1answer
74 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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0answers
54 views

XCrysDen Structure file [closed]

Does anyone know how to directly convert a .cif file to a Xcryden structure file(.xsf) ? I know how to extract the lattice vectors and the atom positions from a .cif file, but don't whether the .cif ...
3
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2answers
172 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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97 views

Nature as a calculator [closed]

I wondered whether physical experiments can find the outcome of otherwise intractable mathematical problems. For example, solitons or other non-perturbative effects in QFT cannot be seen at any ...
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0answers
40 views

Poisson equation solver with specific boundary condition

I want to solve 2d Poisson equation with this Boundary conditions below $$u(-5,y) = 0 , \\ \frac{\partial u(x,y)}{ \partial x} = 0 \,\,{\rm at}\,\, x = -5\\ u(x,-5) = u(x,5)$$ Now my question is ...
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0answers
66 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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1answer
78 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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0answers
25 views

Verlet timestep

I am using velocity Verlet in molecular dynamics. Is just a simple question, if a simulation using time-step femtosecond, in velocity Verlet is just necessary $dt = 10^{-15}$ to use femtosecond?
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0answers
69 views

Which are the good universities for doing PHD in computational physics? [closed]

Currently i am doing MSC(physics) from Pune university, India. And I want to do PHD in computational physics as it interests me the most. So I want to know which universities will be a good option for ...
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1answer
54 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
104 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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2answers
67 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 $r$ ...