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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How to solve highly oscillating differential equation

The equation looks like: $$x''(t)+bx'(t)+c x(t)+dx^3(t)=0.$$ This is the motion of a particle in a potential $cx^2/2+dx^4/4$ with friction force $bx'$. In my case, the friction term is very small and ...
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26 views

What is the largest atom with a reliable configuration-interaction (CI) calculation?

The simplest approximation for calculating the ground state of an atom is the Hartree-Fock approximation. To get accurate result for the ground state energy, one has to do configuration-interaction ...
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21 views

Q: Any standard terminology for “gold standard” Monte Carlo solutions

The "standard" way in our field to compute scattering statistics in wave propagation problems is via a "deterministic" wave prop code operating in a Monte Carlo context where we iterate over many ...
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32 views

Connections between Density Matrix Renormalization Group and Conformal Field Theory

Can we use the density matrix renormalization group (DMRG) method to understand problems in conformal field theory? I have been trying to find some connections, but nothing is coming up when I search. ...
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195 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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16 views

What is the difference between finite displacement and linear response for calculating vibrational properties?

I see these concepts appearing in the context of calculating phonons and other vibrational properties, but I can't find a concrete explanation of the differences between linear response (DFPT) and the ...
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49 views

How to verify/falsify the existence of localised edge states numerically?

I have to consider a Hamiltonian given in second quantized form in real space $$H = \sum c_k^\dagger h_{kl} c_l \, ,$$ describing fermions on a 2d hypercubic lattice. The concrete form of the matrix ...
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49 views

How do I model this Quantum Cascade Laser (QCL) using COMSOL? [on hold]

I'm trying to model this: GaAs on-top of a heat-sink made of Copper. It's trying to simulate a type of Quantum Cascade Laser, I'm looking at the effect the temperature has by running a 10V voltage ...
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1answer
51 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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25 views

Amount of unknown parameters in compressible Euler equations

I'm looking at this page for the compressible Euler equations. To me it seems, in the 1-dimensional case, there should be 3 unknowns: density, velocity, and pressure. This is because the energy $E$ ...
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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 ...
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Computational physics using mathematica [closed]

So I was confused about this question on how to exactly begin to answer it. I am a novice in mathematica and I am teaching myself thus I require help in this question. From what I think I should do, ...
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1answer
66 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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2answers
330 views

Numerical solution to Schrödinger equation - eigenvalues

This is my first question on here. I'm trying to numerically solve the Schrödinger equation for the Woods-Saxon Potential and find the energy eigenvalues and eigenfunctions but I am confused about how ...
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1answer
189 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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1answer
391 views

Does the universe follow a general physical and computational principle of evolution?

Evolution is a principle in biology, whereby organisms evolve their ability to replicate and multiply in numbers over successive generations. From a computational point of view, the organisms employ a ...
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48 views

Using the Fourier transform to find the natural frequencies of coupled oscillators

How can I find the natural frequencies of a system consisting of a pair of coupled oscillators using Fourier transforms? The System consists of two masses and three springs. One of the springs ...
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0answers
21 views

Introduction material for lattice field simulation

I am looking for introductory material of lattice field theory simulation. It is better start from simple example (e.g. \phi^4) and include some source code. Is there any on-line or book which is ...
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392 views

How do you simulate chiral gauge theories on a computer?

David Tong and Lubos Motl have argued that our universe can't possibly be a digital computer simulation because chiral gauge theories can't be discretized, and the Standard Model is a chiral gauge ...
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25 views

Ising Model 2D Correlation Length

I'm using Metropolis and Wolff Clustering algorithms to estimate the spin-spin correlation function $$<s_os_r>$$ I know that this is related to the correlation length but how do we determine ...
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1answer
83 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? ...
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43 views

Ising model Monte Carlo simulations in 4D and 5D

I'm going to be simulating the Ising Model in 4D and above to calculate spin-spin correlations and critical exponents and am wondering how to tackle this algorithmically. For example, in 1D, use an ...
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1answer
40 views

Probability density function of a particle for computation [closed]

I'm writing a program, part of which relies on a particle being able to change location similar to a how a real particle would behave (pardon my physics). For example, on a grid of 100x100, a ...
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38 views

Why are functional representations of systems important in physics or computational physics?

This was an addendum to a previous question I asked, but I figured I should make it it's own discussion. Assuming I am able derive a functional representation for any dynamical system (dissipative, ...
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167 views

Problems while numerically computing band structure using k.p theory

I want to use k.p theory to numerically compute the band structure of a bulk semiconductor. The band I like to include are the lowest conduction band (cb), the heavy-hole (hh), the light-hole (lh) and ...
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62 views

Leapfrog method in Particle-in-cell

Recently I wanted to write a 3D electromagnetic Particle-in-cell code with c++.I know that I should use leapfrog method.For example,when I calculates the position and velocity of particles,i should ...
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How does force relate to velocity

I had originally asked this question on math overflow and it was suggested that I ask it here. So I know that a force will change the magnitude of velocity if it is at an angle other that 90 degrees. ...
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3answers
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32 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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23 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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3answers
105 views

Textbook recommendation for computational physics

Can anyone recommend some good textbooks for undergraduate level computational physics course? I am using numerical recipe but find it not a very good textbook.
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1answer
60 views

Calculating a two-dimensional orbital path with infinite granularity (non-Euler integration)

For a game I am making, I am trying to calculate the position of an orbiting object around one or more bodies. I have successfully implemented this gravity simulation by calculating the force, then ...
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1answer
22 views

How do we define capillary number in 2D (two dimensions)

In 3D the capillary number $Ca$ is defined as: $$Ca=\frac{\nu \rho U}{\gamma}$$ where $\nu$ is the kinematic viscosity ($m^2/s$), $U$ is the velocity ($m/s$)and $\gamma$ is the interfacial tension ...
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Why is the objective function used in Nudged Elastic Band method reasonable?

In Nudged Elastic Band (NEB) method, which is used to find reaction pathways when both initial and final states are know, an objective function is first constructed and then minimized to find reaction ...
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Why breakdown voltage decreases with increasing FWHM of an asperity?

I am running a simulation for a dielectric breakdown. I am getting breakdown voltage decreases with FWHM, which does not make sense as field enhancement is higher for a small width. Simulations solve ...
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1answer
26 views

Effects of terrain on outdoor sound propagation?

I'm looking for a computationally fast model for capturing the effects of varying terrain topology in far-field outdoor acoustic propagation, and was wondering if anyone had any insight or could point ...
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114 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
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2D room with electron-point-charges (stability)

Is there a fast way to find out stable #"point charges" & constellation for this kind of Simulation. The 2D repeating itselve in each direction till infinity, so i've a kind of symetrie here. ...
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0answers
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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
33 views

Molecular dynamics and detailed balance

In developing methods to perform Monte Carlo simulations one sufficient condition to preserve the stationarity of the target probability distribution is to impose detailed balance i.e. [Gardiner page ...
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1answer
62 views

Possibility of simulating quantum physics and relativity [closed]

I must be clear; this is not a 'specific' question, but rather a hypothetical one. As of now, computer physics simulations are becoming more and more advanced, and I am programming one now. I was ...
2
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3answers
160 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 ...
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1answer
127 views

reversible cellular automata

Let's suppose a cellular automaton has a value $b(r,t)$ belongs to $Q$ at site $r$ and time $t$, where $Q$ is the set of possible states at each site. Let $N(r, t)$ be the values of the states of all ...
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82 views

black body simulation

black body radiation is typically understood from Planck's argument of light resonance in a box, from which the density of states is computed. Now, suppose I want to simulate a black body ...
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81 views

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
116 views

Feynman's Infinite Amount of Logic for One Tiny Bit of Space

Watching one of Feynman's lectures, I came across something that puzzled me. What was Feynman referring to when he said the following? What goes on in no matter how tiny a region of space and no ...
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0answers
30 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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1answer
45 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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101 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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167 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 ...