Questions tagged [computational-physics]

Questions with this tag should be about computational physics, which is the study of physical situations with the use of software (commercial or in-house). Please note that details of writing and/or debugging code is OFF-TOPIC and should be asked at either Computational Science, Code Review or Stack Overflow.

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1answer
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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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171 views

Minimal Extension of Wave Equation to Include Dispersion

Let's say you are modeling some process with the wave equation $\frac{1}{c^{2}}\frac{\partial^{2}\psi}{\partial t^{2}} = \nabla^{2}\psi$. You wish to improve your model by including dispersive effects,...
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466 views

How to simulate a crashing wave? [closed]

I'd like to create a very rough animation of a wave crashing on a beach. I'm guessing it would have to be a particle simulator, where you code in the forces between the particles and then integrate ...
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2answers
979 views

Why does thermodynamic integration work?

Brief introduction: Thermodynamic integration is a neat computational method used mainly for computing free energy differences between target and reference states of classical many-body systems, such ...
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2answers
426 views

Eigenvalue problem for differential equations in QM

I have a very simple question with regard to numerical methods in physics. I want to solve the eigenvalue problem for a particle moving in an arbitrary potential. Let's take 1D to be concrete. I.e. I ...
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1answer
3k views

What are the limitations of Smoothed-Particle Hydrodynamics?

I've been excited by some of the possibilities of Smoothed-Particle Hydrodynamics (SPH). I have seen some very exciting demonstrations of their use in 3D graphics, but I am wondering how well the ...
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1answer
175 views

Determining bound state masses from a lattice $\phi^4$ simulation

I've recently written a program in python that simulates the $\phi$ to the fourth scalar quantum field theory in a 4 dimensional euclidean spacetime. The lagrangian for this theory is that of a free ...
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413 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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3answers
692 views

Can the Metropolis-Hastings algorithm be generalized to quantum systems?

The Metropolis-Hastings algorithm is an efficient way of simulating classical ensembles using the Monte Carlo method. Is there a generalization of this algorithm to quantum systems? What I DON'T have ...
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0answers
166 views

Visualising General Relativity [closed]

I've recently found myself with copies of both Maple and Mathematica and I'm looking to use it to study relativity and hopefully the field equations of GR. I mainly study general relativity but I've ...
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1answer
314 views

Computational scaling of quantum and classical Monte Carlo algorithms

How does the computational complexity of finding an equilibrium thermal state for a given Hamiltonian at a given temperature scale with system size under classical and quantum Monte Carlo? I know ...
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5answers
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Why do objects in a gravity simulation experience sudden large accelerations?

I'm trying to create a simple program that simulates gravity. The idea is that I have one central sun and several planets that I can create with a swipe gesture on the screen, and I use the initial ...
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1answer
509 views

What states are satisfying an entropic area law and why do they satisfy it? More specificly why do matrix product states satisfy it?

I am currently reading some papers concerning the question why the density matrix renormalization group (DMRG) method is working well for simulating one dimensional systems and bad for higher ...
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3answers
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What is the next step beyond quantum computation?

Assuming we develop quantum computers one day, what would be theoretically the next step? Would it be string-theory based computers? How would these computers differ performance-wise (ie what can they ...
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1answer
4k 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 ...
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2answers
709 views

Ising model observables

Is there a formula or equation relating $\langle E\rangle$ and $\langle M\rangle$ (average spin per site) and $\langle E^2\rangle$ to temperature $T$ for the square lattice Ising model at zero ...
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3answers
1k views

Difference between Monte Carlo and Quantum Monte Carlo methods?

What are the differences between Classical Monte Carlo methods and Quantum Monte Carlo methods in condensed matter physics? If one want to study strongly correlated systems with Quantum Monte Carlo ...
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1answer
90k views

How does force affect velocity?

I know that a force will change the magnitude of velocity if it is at an angle other that 90 degrees. If the force is perpendicular to the velocity it will cause the path of the object to curve and ...
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2answers
604 views

How is time evolution done in numerical GR?

Suppose we're simulating what happens when a fairly massive object falls into a black hole. Say the object starts far away, so that the initial condition is that the metric is the Schwarzschild metric ...
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1answer
2k views

Numerical analytic continuation for Green's function

Recently, I happened to hear about the possibility of doing analytic continuation numerically. That sounds attractive for the ubiquitous $\mathrm{i}\omega_n\rightarrow\omega+\mathrm{i}0^+$ procedure, ...
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1answer
1k views

Numerical schemes, time integration algorithms and energy conservation

What does it mean when someone says a numerical scheme or a time integration algorithm is "energy conserving". How can a numerical scheme "gain" or "lose" or "conserve" energy apart from the numerical ...
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2answers
10k views

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 energy(...
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2answers
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Physics of simple collisions

I'm building a physics simulator for a graphics course, and so far I have it implementing gravitational and Coulomb forces. I want to add collisions next, but I'm not exactly sure how to go about ...
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4answers
1k views

Dirac equation on general geometries?

I have a numerical method for computing solutions to the Dirac equation for a spin 1/2 particle constrained to an arbitrary surface and am interested in finding applications where the configuration ...
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1answer
310 views

What advantages have a symplectic or geometric integrator over a simple one, say, RK4?

I heard that a symplectic integration algorithm has a property related to the phase space of a system, but i don't understand much further than that. I'm interested in applying that method to a non-...
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3answers
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How to include random force in the simulation (Classical Molecular Dynamics)

I need to implement a random force in my code according to the fluctuation dissipation theorem. I have a Gaussian distribution function ready width average 0 and distribution 1 and I know I need to ...
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1answer
88 views

DFT: When would one use a LDA over a GGA method?

Computationally using Density Functional Theory (DFT), is there any examples where Local Density Approximation (LDA) would be preferred over using Gradient Generalized Approximation (GGA) methods for ...
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2answers
2k views

Difference between real time and imaginary time propagation?

Suppose I want to solve a non-linear Schrödinger equation using imaginary time propagation to get the ground state solution. I choose $t = - i \tau$, and then solve the equation using the split-step ...
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1answer
121 views

What's the loss of information in taking the moments of the Vlasov equation for the Particle-In-Cell method

I know that when deriving the hydrodynamic equations from Boltzmann's equation we take the first three moments along momentum space to get the conservations laws. Taking infinitely many moments would ...
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2answers
3k views

Should acceleration be included in state vector of a Kalman filter?

I'm developing (actually adopting existing solution) a Kalman filter to model motion of a vehicle (UAV or automobile). The state vector will include position, velocity, and, possibly, acceleration. ...
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1answer
291 views

Symplectic integration methods - non-conservative forces

With symplectic integrators, the aim of the game (among other things) is to try and preserve structure of the Hamiltonian - for e.g. conserved quantities like angular momentum. With specific focus on ...
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2answers
265 views

Monte-Carlo and $O(n)$ models for non-integer n

$O(n)$ lattice statistical models can be generalized to non integer values of n, starting from their (expanded and resumed in graphs) partition function: $$Z = \sum_{\text{loop configurations}} n^{\# \...
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2answers
974 views

Interpretation of Stiffness Matrix and Mass Matrix in Finite Element Method

I would like to have a general interpretation of the coefficients of the stiffness matrix that appears in FEM. For instance if we are solving a linear elasticity problem and we modelize the relation ...
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4answers
868 views

Monte Carlo use [closed]

Where is the Monte Carlo method used in physics?
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2answers
304 views

How can I include variable particle number in a Brownian dynamics simulation?

I programmed a Brownian dynamics simulation in two dimensions. (Coarse-grained proteins on surfaces with interaction potentials i.e. patchy particles.) Now I want to allow particles to leave or enter ...
6
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1answer
243 views

Potential function - numerical simulation

Using MATLAB, I fixed the potential in a region inside a rectangular plate (100 V) and in the border (50 V). I got the following result of the potential along the plate: I can't find an intuitive ...
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1answer
230 views

Is there any relation between density matrix renormalization group (DMRG) and renormalization group (RG)?

Probably I am going to receive many down-votes for this post but I really need to ask this question here. I am new to statistical mechanics. I wanted to learn Density Matrix Renormalization Group (...
6
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2answers
443 views

First-principles caluclation of the critical temperature of a superconductor

Special materials become (conventional) superconductors at a specific temperature, referred to as the critical temperature. Are there any techniques for calculating from first principles whether a ...
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1answer
178 views

Do black hole merger simulations include regions inside event horizons?

Inspired by this question, I would like to ask the following specific point. In numerical simulations of general relativity that involve black holes, like the ones used to understand the black-hole ...
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1answer
1k views

Discretizing the Wave Equation in polar coordinates

I want to discretize the wave equation $$\frac{1}{c^2}\frac{\partial^2\psi\left(\vec{r},t\right)}{\partial t^2}=\triangle\psi\left(\vec{r},t\right)$$ in polar coordinates. I find the following ...
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2answers
502 views

In condensed matter simulations, how is particle number density computed in practice?

I have been reading a recent paper. In it, the authors performed molecular dynamics (MD) simulations of parallel-plate supercapacitors, in which liquid resides between the parallel-plate electrodes. ...
6
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1answer
1k views

Implementing simple atom model using density functional theory (DFT)

I am trying to write computer code which will find the energy and density function for an atom with $Z$ protons and $N$ electrons. I am working in 1D for simplicity and would like to make the overall ...
6
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1answer
265 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
365 views

What equation describes the electrostatic potential in these circumstances?

I have a solver for Poisson's equation and it works nicely. It uses finite differences. It works in the presence of multiple dielectrics. It also solves the Poisson Boltzmann equation. That is, fixed ...
6
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1answer
940 views

Numeric method to calculate the charge distribution on a conducting surface?

If I have an arbitrary (closed?) conducting surface and a nearby charge density, is there a simple numeric way of computing the induced charge distribution on the surface?
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1answer
599 views

FCC-to-BCC phase transition in NaCl, Buckingham or Lennard-Jones potentials?

Background The transformation from B1 (face centered cubic (FCC) type) to B2 (body centered cubic (body centered cubic (BCC) type) structures is one of the best documented high pressure phase ...
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2answers
286 views

Statistical specific heat as energy fluctuation in spin glasses

Consider the specific heat (in statistical sense, as energy fluctuation in the canonical ensemble) of a complex model, something similar to a spin glass. Is the specific heat defined on fluctuations ...
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1answer
2k views

The use of Artificial Intelligence in physics resarch [closed]

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 ...