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.

learn more… | top users | synonyms (1)

2
votes
3answers
85 views

Is it possible to reconstruct the wavefunction of a molecule from a collection of spectra?

Spectra of a molecule can be calculated if the wavefunction is known. Is it possible to do the opposite?
2
votes
3answers
164 views

Do algorithms have an intrinsic time direction?

This article says There is no intrinsic time direction in Newton's mechanics nor in the differential equations of the new physics. My question is, do other types of mathematics, say a cellular ...
2
votes
2answers
156 views

Hamiltonian mechanics really useful for numerical integration? Lagrangian can become 1st-order

(I'm talking about the classical mechanics.) Many texts say that Euler-Lagrange equations are difficult to treat numerically because they are second-order ODEs, ${f_i(\boldsymbol{q, \dot{q}, ...
2
votes
2answers
126 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 -$1/r$. ...
2
votes
2answers
150 views

Sampling a distribution (from a galaxy model)

I am reading the following article: http://www.kof.zcu.cz/st/dis/schwarzmeier/galaxy_models.html and am currently at section 5.6 (positions of bodies in a galaxy). I am trying to redo the simulations ...
2
votes
1answer
64 views

9-point stencil “equivalent” for advection equation

So I inherited from some people a code that solves the advection-diffusion-reaction equation for a particular system. The original code was first implemented in 1D which worked fine in cartesian ...
2
votes
1answer
59 views

Damping a spring force

I'm modelling particles in a system using a spring and damper force. $$F= kx -cv$$ $x=x_i -x_f$, where $x_i$=centre of spring and $x_f$= displaced position. Above $x$ is the displacement and $v$ is ...
2
votes
1answer
80 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?
2
votes
2answers
365 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 ...
2
votes
2answers
175 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 ...
2
votes
1answer
601 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 ...
2
votes
1answer
157 views

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 ...
2
votes
2answers
356 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 ...
2
votes
2answers
110 views

Why does GW-DFT give higher bandgaps in semiconductors

Usually the GW Density Functional Theory (DFT) gives larger band gaps in semiconductors compared to the LDA and GGA methods. This seems to be related to the screened potential in GW, but it is not ...
2
votes
2answers
90 views

Is there any untamed physics in the CPU?

In a x86/amd64 CPU could I find an instruction or a combination of instructions that leak inside the system? Could some other physics properties (not accounted by the design) be measured or interacted ...
2
votes
1answer
82 views

Density Matrix Renormalization Group (DMRG) Simulation of a String-Net Model

In the following paper, Dr. Xiao Gang-Wen et. al. introduce the idea that string-net condensed states can be represented in terms of tensor product states: http://arxiv.org/pdf/0809.2821.pdf The ...
2
votes
1answer
64 views

Estimating divergence of set of vectors

I have a set of points where directions and intensities of a flow are given (in 3D). Is it possible to estimate the divergence of the flow defined by those vectors? I only need a rough estimate and I ...
2
votes
1answer
203 views

Simulation of fluid flow using Euler equation

I have been looking on Euler's equations for a while and can't grasp one thing. Suppose we have initial system state with volumes of fluid "hanging" in air (time is frozen and equal to zero), each of ...
2
votes
1answer
203 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 ...
2
votes
2answers
243 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 ...
2
votes
1answer
111 views

What is this nested bracket notation?

The following is an excerpt from K. Varga's paper, Precise solution of few-body problems with stochastic variational method on correlated Gaussian basis: ...The function $θ_{LM_L}(\mathbf{x})$ in ...
2
votes
1answer
67 views

Hard processes in particle collisions

This is in reference to a MC generator called Pythia, but has wider applicability because the phrases are used widely in particle phyiscs, even though I have not managed to find a clear, ...
2
votes
1answer
65 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, ...
2
votes
1answer
114 views

The number of mean free paths which a particle traverses is independent of the material traversed

This is a manual from a Monte Carlo physics manual: Computing the occurrence of a process Can anyone tell me why the number of mean free paths of a particle is independent of the material which it ...
2
votes
1answer
936 views

Lennard Jones liquid vapour phase transition

I am trying to generate a phase diagram of pressure versus temperature in a NPT ensemble using molecular dynamics method. I am using the Lennard Jones potential with 108 particles and Berendsen ...
2
votes
1answer
136 views

Mutual Interaction of $N$-Particles in a Cartesian Plane

I am making a simulation of $N$-Particles in a cartesian plane and need help with understanding the basics. At anytime, in my particle system, I will have $N$ number of particles. I am treating the ...
2
votes
0answers
23 views

How to let Pythia to output the complete event record in LHEF or StDHep format?

I am currently using Pythia 6.4 to simulate some processes (I do not have the intention to upgrade to 8). Now, I need Pythia to output its event record in the format of LHEF or StDHeP. I accidently ...
2
votes
0answers
143 views

Precession of Mercury (Python simulation)

I was trying to simulate the precession of Mercury based on the perturbed solution, and my questions about its implementation in python can be seen here: ...
2
votes
1answer
148 views

Tight binding model in a magnetic field

The standard way to treat a tight binding method in a magnetic is to replace the hopping matrix element: $t_{i,j}\rightarrow e^{i\int_i^j\mathbf{A(x)}.d\mathbf{x}}$ the so called "Peierls ...
2
votes
0answers
45 views

How can the fictitious mass in the Car-Parrinello method reproduce the “real” dynamics?

In the Car-Parrinello method, to solve simultaneously the classical equations of motion for the atoms and the Kohn-Sham equations for the electrons, the following effective Lagrangian is used: $$ ...
2
votes
1answer
42 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 ...
2
votes
0answers
65 views

Modelling gravitational potential of a galaxy

I am interested in modelling the gravitational potential of a disc-shaped galaxy with radius $R$, i.e. solving the 2D Poisson equation numerically by Gauss-Seidel relaxation: $$\nabla^2 \phi = 4\pi G ...
2
votes
0answers
148 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 ...
2
votes
0answers
34 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 ...
2
votes
1answer
224 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): ...
2
votes
0answers
96 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 ...
2
votes
0answers
63 views

Euler equation with single state variables [duplicate]

I want to simulate a flow using the Euler equations. For this reason I'm wondering if there's a modified version of the Euler equations. At the moment my formula looks like this: $$ ...
2
votes
1answer
215 views

Exact diagonalization to resolve ground state degeneracies

I am studying a perturbed Toric Code model that is not analytically solvable. On a torus the ground state degeneracy of the unperturbed model is 4. Once we turn on the perturbation there is a change ...
2
votes
1answer
141 views

How much computer power would we need to model every physical aspect of the universe [closed]

So I know there are equations that give you the total energy in the Universe(Friedman). So about if we we to simulate every single interaction from neurons to physical forces, strong and weak, ...
2
votes
0answers
324 views

What is the drag coefficient of an open wedge?

To check my two dimensional CFD calculation I am looking for reference data on the drag coefficient of an open wedge. The geometry is shown below, together with the flow direction. I have found ...
2
votes
0answers
340 views

simple MHD simulation code for (self) education and play with [closed]

I would like some super simple computational code for solving magnetohydrodynamics problems. High accuracy nor performance is not my concern. I wan't it just to visually explore qualitative behavior ...
2
votes
0answers
60 views

Trotter splitting and entanglement entropy

I have heard that a numerical solution to the Schrodinger equation using the Trotter splitting formula for a many-body Hamiltonian can cause an artificial increase in the entanglement entropy. I was ...
2
votes
2answers
222 views

Strange Behavior in Spring Computer Model

To learn more about oscillatory motion which I am learning about in my high school physics class, I have created a computer model of a damped spring where the damping force is proportional to ...
2
votes
0answers
172 views

Detailed procedures of numerical calculations in lattice models [closed]

I am looking for a reference to show me a detailed procedure of numerical calculation of a physical quantity of a lattice. I have knowledge of the physics part and I am able to find it. My problem ...
2
votes
2answers
180 views

How do you measure numerically the central charge of a system?

Let's say that you are doing some Monte-Carlo simulations of a statistical system on a lattice and you observe scale invariance, meaning that you are at a conformal point. Can you get a numerical ...
1
vote
1answer
1k views

Why do people use C++ in Computational Physics? [closed]

Once day, I talked to my Prof. about Computational Physics and he showed me his work. I'm quite surprised that why Prof. use C++ for computation because C++ quite complicated. I heard he talked about ...
1
vote
3answers
139 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))?
1
vote
2answers
168 views

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 ...
1
vote
4answers
962 views

Non-computable numbers in Physics

It is known that there are real numbers that can't be calculated (non-computable numbers). Quite probably that some physical phenomena (it is possible still undetected) depend on this numbers. Whether ...
1
vote
1answer
42 views

Difference between Enzo & Gadget astronomy simulation codes

Enzo and Gadget are simulation codes used in astronomy. What are the largest differences between them both in terms of physics they simulate and in their implementations?