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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257 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
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1answer
121 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 ...
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1answer
90 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 ...
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1answer
133 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 ...
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1answer
142 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, ...
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1answer
53 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 ...
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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, ...
2
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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 ...
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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 ...
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16 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 ...
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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. ...
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60 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] ...
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43 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 ...
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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 ...
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0answers
58 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 ...
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0answers
310 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: ...
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0answers
64 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: $$ ...
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1answer
51 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
91 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 ...
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236 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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0answers
38 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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2answers
228 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 ...
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1answer
375 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): ...
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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 ...
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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: $$ ...
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0answers
432 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 ...
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495 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 ...
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66 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 ...
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2answers
292 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 ...
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0answers
387 views

fun computational physics projects [closed]

I want to learn how to code in Java and am in need of some cool computational physics projects that would provide motivation to do so. I was wondering if you guys could list some medium-level ...
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3answers
147 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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2answers
203 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 ...
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4answers
1k 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 ...
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3answers
139 views

Langevin Equation - Stochastic Differential Equation. What are the subtleties?

I am trying to find out the motion of a particle in 3D governed by the Langevin equation, numerically. Anyway, the Langevin equation is given by $$m \ddot{x} = -(6\pi a\nu) \dot{x} + F_b $$ where ...
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1answer
92 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?
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1answer
460 views

I'm getting weird autocorrelations when simulating an Ising model below the critical temperature

So I'm simulating an Ising model using Monte Carlo and the Metropolis algorithm. After letting it reach equilibrium, I try to calculate the autocorrelation of the magnetization. As long as the system ...
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2answers
2k views

How do I integrate the Poisson equation to determine the electric potential along a particular direction (e.g., $z$)?

This question is a sequel of sorts to my earlier (resolved) question about a recent paper. In the paper, the authors performed molecular dynamics (MD) simulations of parallel-plate supercapacitors, ...
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2answers
183 views

Do electrons actually reside in orbitals?

(Following this answer on Chemistry.SE) Let's define "dwell"/"reside" as the area in which the probability to find an electron is more than 90%, for example. Calculated orbitals comprise a basis ...
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1answer
93 views

SDSS spectra FITS format: what do the rows mean?

This might be in the FITS Header, but I couldn't find it. I am looking at the FITS files for SDSS 1D spectro images from DR7 using the SDSS Data Archive Server at das.sdss.org (there might be an ...
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2answers
122 views

Anyonic braiding statistics from density matrix renormalization group (DMRG) simulations

How does the ground state energy of the system change when we braid two anyons? Can the braiding of anyons be simulated with a computational method such as the density matrix renormalization group, ...
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2answers
818 views

Acceptance probability 2D Ising Model

Disclaimer: I just found a possible solution - eventhough i don't really understand, whats wrong with my prior approach. Edit: I just tried to calculate it from scratch and found the following: $E ...
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2answers
383 views

How can one determine at which distance the Lennard-Jones potential reaches a given value?

My question is fairly simple, but I do need clarification on how to get the inverse of the Lennard-Jones potential V(x). I am working with the following expression: $$ V(x) = e\times[(R/x)^{12} ...
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3answers
1k views

Calculate kinematics of body movement from the set of spatial coordinates

Short intro I have a set of 3D (x,y,z) spatial coordinates of arm movement obtained using motion capture system. The example set of such coordinates looks like this (rounded up): ...
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1answer
63 views

Gravitational field of thin 2D ring - numerical simulation

I'm aware of Newton's Shell Theorem, which states that inside of a thin ring of uniform density, the gravitational force exerted on a point mass should be zero. I wrote a quick field simulation to ...
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1answer
163 views

Connection between bond-dimension of a matrix product state and entanglement

The bond dimension is the dimension of the truncated matrix product state (MPS). Let us assume that I am simulating some many-body system with high entanglement via the density matrix renormalization ...
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1answer
331 views

Finding the initial velocity vector of an orbiting body

I'm writing a program that simulates Newton's law of universal gravitation by simply calculating the force and applying it on the objects. The simulation works very well, but now I want to simulate ...
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1answer
135 views

Hartree Fock equations

I don't understand how the Hartree Fock equations define an iterative method! For this discussion, I am referring to the HF equations as described here: click me! Basically if you guess a bunch of ...
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1answer
287 views

Numerical solution for Friedmann equations

My problem today is to solve the Friedmann equations, for those who aren't familiar with them, here they are (in my specific case): $$ \left ( \frac{\dot{a}}{a^2} \right )^2 = \frac{\rho_1}{a^4} - ...
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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 ...
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1answer
494 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 ...