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
1answer
129 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
97 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
757 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
2answers
1k views

Gas viscosity at high pressure, high temperature

EDIT 1 PER COMMENTS I am wanting to model nitrogen gas viscosity as a function of pressure and temperature OR learn of an existing equation that models nitrogen viscosity for the pressure and ...
2
votes
1answer
82 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
1k 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
2answers
425 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
1answer
736 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
160 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
1answer
50 views

Current Status of the Monte Carlo Sign Problem

I've been reading about the Monte Carlo sign problem, and I am a little confused about its current status. Specifically, after reading this post When is the "minus sign problem" in quantum ...
2
votes
1answer
59 views

Difference between finite volume, characteristic method and plug flow models of a pipe

I have to model pipes (of a district heating network) with ODE's. My background is computer-science, so it is not that easy for me to understand different approaches. Finite volume approach. Method ...
2
votes
1answer
195 views

Problems implementing Lattice Boltzmann method

I want to make a basic 2D implementation of the Lattice Boltzmann method (in javascript) to simulate gas/fluid flow, but I have run into some problems and I can't seem to find the cause of it. ...
2
votes
2answers
240 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
94 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
169 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
787 views

How to measure the spin-spin correlation in a Monte Carlo simulation of the Ising model?

I'm simulating the Ising Model in 2D up to 5D and I want to calculate the spin-spin correlation, correlation length, and critical exponent of the system. What is a good way to go about doing this? ...
2
votes
1answer
76 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
312 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
406 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
258 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
283 views

Is Machine Learning a useful tool for analyzing experimental data? [closed]

Apart from being a student of Physics I'm also a developer and recently in the context of cloud development I've been hearing a lot about cloud based Machine Learning. After looking at some examples ...
2
votes
1answer
94 views

Why is modelling water so difficult?

There are several models of water that have come into existence so far. Nevertheless, there is no one particular model which effectively gives all the properties of water correctly. A model like TIP3P ...
2
votes
1answer
137 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
179 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
56 views

Cellular automata and time T

Reading around about various CA models I saw that there are even those who are following the track to provide a single mechanicist model of the universe. For example Gerard van 't Hooft claims that ...
2
votes
1answer
76 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, i....
2
votes
1answer
129 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
140 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
52 views

Efficient Method for Multiplying Angular Momentum Operators

I'm doing a calculation that involves canonical symmetrization of angular momentum. For example: $H_{\text{classical}} = J_x J_y \rightarrow \hat{H}_{\text{quantum}} = \frac{1}{2}(\hat{J_x}\cdot \...
2
votes
0answers
19 views

Derivation of generation of time between two subsequent particle enters into computational domain

I have problem with understanding derivation of one equation in following problem. You have 1D computational domain (it is not 1D but because it is symmetrical and we are watching only radial ...
2
votes
0answers
30 views

Open-source code for computing response functions

Summing Feynman diagrams to compute the response functions of a microscopic model is common in many areas of physics. While conceptually straightforward, the task can be computationally intensive. ...
2
votes
0answers
63 views

Numerical problem with Hartree-Fock equations for dilute Bose gas

I have to solve the following set of equations self-consistently: $$\begin{align} n_c(\mathbf{r}) & = \frac{1}{g}\left[\mu - V_{\rm ext}(\mathbf{r}) - 2 g n_{T}(\mathbf{r}) \right] \\[3mm] n_{T}(\...
2
votes
0answers
45 views

Is the finite element method easily extrapolable to new disciplines? [closed]

I am a structural engineer with a good solid mechanics background. I am reasonably familiar with finite element methods as applied to linear/nonlinear solids and structures, I would like to know how ...
2
votes
0answers
35 views

Comparing two versions of the same hydrodynamic code and their error

So I have two versions of a hydrodynamic code that has the same underlying physics. Lets call them code A and B. However code B is more optimized and more object oriented. I was trying to compare the ...
2
votes
0answers
63 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
336 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: http://scicomp.stackexchange.com/questions/...
2
votes
0answers
77 views

Are there resources for simulating and/or theoretically describing solitons?

Recently there are striking new ideas emerging on "lower level" dynamics with respect to quantum mechanics involving fluid mechanics principles, including hints of soliton-like aspects to particle ...
2
votes
0answers
66 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: $$ \tag{...
2
votes
1answer
52 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
98 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
258 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
39 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
2answers
244 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 ...
2
votes
1answer
401 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): $\vec{r}_{Earth}=\begin{pmatrix}-\frac{m_{Moon}}{m_{...
2
votes
0answers
113 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: $$ \frac{\partial}{\...
2
votes
0answers
450 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
532 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 ...