# Questions tagged [monte-carlo]

Questions on Monte Carlo methods, methods that require the repeated generation of (pseudo-, quasi-)random numbers for computing their results.

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### draw a log-log plot of MSD (mean square displacement) versus t of a movement of the polymer chain

Cross-posted on MMSE (Matter Modeling Stack Exchange). The following are the movements of the center of mass of a polymer chain over time in a monte carlo simulation. ...
1 vote
103 views

### How to plot random points in 3 dimensions in order to calculate volume of a torus through Monte Carlo integration

I am new to Monte Carlo integration and have been tasked with using MC integration in order to calculate the volume of a torus with inner radius 5cm and outer radius 10cm. Below is the code I have ...
72 views

### Determining the importance of different parameters in a simulation

Suppose that I have a function of, say, three parameters, $f(p_1,p_2,p_3)$ whose output is a field(s) (e.g. velocity field) and is dependent on some real-valued parameters (e.g. viscosity, density, ...
102 views

### Automatic Differentiation In the Presence of Jump Points

I have a complex monte-carlo cashflow model that traditionally uses the finite difference (FD) method to calculate its derivative at any given point. To improve model performance, I coded forward-mode ...
50 views

### what is the proper way to update the XY model for a Metropolis MC simulation

I am trying to do a 2D simulation of the classical XY model in order to observe vortexes in the system. I am not really interested at the moment in calculating variables such as Magnetization because ...
1 vote
40 views

### Monte Carlo simulation of classical Heisenberg model doesn't represent Curie curve

I've created a JavaScript file to execute and log average energy and magnetization values of 2D lattice classical Heisenberg model. I run the simulation with parameters, ...
82 views

### Monte Carlo simulation of many-body wave function overlaps

Consider two wavefunctions $\psi_{1}$ and $\psi_{2}$ over $\otimes_{i=1}^{N}S$. I want to evaluate the overlap between these two functions numerically: $$\int d\tau \psi_{2}^{\star}\psi_{1}$$ in the ...
60 views

### Absence of discontinuity in Specific Heat in liquid-gas transition (Based on the Ising Model)

I'm trying to do a model for the transition liquid-gas based on the Ising model and the metropolis algorithm, instead of using values of spins, I'm saying that a cell is occupied by a particle or not. ...
118 views

### Numerical integration library interfacing with eigen

I am looking for a numerical integration library like this one. The examples look very appealing but I see that all test functions use very barebones C arrays. Do you have any recommendations of ...
76 views

### How to perform a monte carlo simulation on a honeycomb lattice with first, second and third nearest neighbor interactions?

I want to perform monte carlo simulation on a honeycomb lattice. Can someone please help me on how to define a matrix for these interactions and how many terms there will be while sampling the ...
1 vote
178 views

1 vote
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### Discretization formula for a system of two differential equations. "Solution to one of these is the initial condition of the other". In which sense?

Consider the following stochastic differential equation \begin{equation} dy=\left(A-\left(A+B\right)y\right)dt+C\sqrt{y\left(1-y\right)}dW\tag{1} \end{equation} where $A$, $B$ and $C$ are parameters ...
248 views

### Different questions about "Inverse Physics problems"

I am in a context of forecasts in astrophysics. Don't be too rude if questions seem to you stupid or naive but rather indulgent, I am just looking for better undertsand all these numerical methods of ... 1 vote
71 views

### Which are the right configurations in the Markov chain of a Hamiltonian Monte Carlo algorithm?

I have a question about the Markov Chain Hamiltonian Monte Carlo (MCHMC). Hamiltonian Monte Carlo is known as Hybrid Monte Carlo too. I'll describe the steps of the algorithm. We have at the ...
152 views

### Question regarding the energy computation of the Ising-Spin Model

In most of the Monte-Carlo-Algorithms I studied, I found, at the place where they compute the energy, always a line of code, where they divided by four. For example, this code-snippet is taken from ...
105 views

### Random Orthogonal Matrix Generation

This post is inspired by N. Higham post "What is Random Orthogonal matrix?". In this post, N. Higham links to the two papers: G. W. Stewart, The efficient generation of random orthogonal matrices ...
232 views

### Is this behaviour normal for a Lennard-Jones monte carlo simulation?

I am simulating a Lennard-Jones fluid using MC simulation. The code always uses a reduced unit. I want to find the potential energy of the system. Periodic boundary condition implemented. I have ...
471 views

### Why the magnetisation shows abrupt behaviour for this 3D ising spin system

I am trying to simulate a 3D Ising spin system (+1 & -1) using Monte Carlo Metropolis Algorithm. I want to get different physical quantities from this simulation like magnetization, Average Energy,...
469 views

### Absence of Discontinuity in Specific Heat Plot Simulated by Ising Model

I am working on 2D Ising model, when I plot "specific heat vs temperature", I can't see any discontinuity at critical temperature around Tc ~ 2.7K. I am enclosing results of all other thermodynamic ...
75 views

### Hit-n-Run Monte Carlo on convex polytope

So, I'm currently trying to implement a MCMC to uniformly sampling hyper-points from the polytope defined as $\mathbb{K}=\{x\in\mathbb{R}^{n}\;\;\text{s.t.}\;\; A\,x=b \}$ in the specific case where, ...
3k views

### Calculation of Mean Square Displacement for Brownian dynamics system with Lennard Jones interactions in python3

I have a problem getting a sensible result for the Mean Square Displacement (MSD) for a simulation of $N$ particles under Brownian dynamics with Lennard-Jones interaction between them with or without ...
179 views

### How to optimize sampling for global sensitivity analysis

What is a good way to sample parameters for performing global sensitivity analysis? Some methods are defined using integrals, some are use Monte Carlo. How do these compare?
112 views

### Probability approximation: monte carlo VS sde

I have a probability measure $\mu$ (say, in $\mathbb{R}^{d}$, with density) and I want to approximate it numerically. Today I noticed that my measure is ergotic for a certain Stochastic Differential ...
262 views

### Computing autocorrelations of configurations in Monte Carlo simulations

In the context of Monte Carlo simulations, I am trying to learn how I should ensure that the configurations of my system are not correlated for the chosen interval of measurements. I have found out ...
42 views

### Monte Carlo domain not-so-dense

I already posted it on Physics SE, but maybe this is a better place: I have a 5D integral being calculated with a Monte Carlo uniform random sampling. The issue is that the region of integration is ...
1 vote
294 views

### Dealing neighbor list in NVT Monte Carlo (MC) simulation

I'm making a NVT Monte Carlo (MC) simulation code with only short range interaction. I found many MC tutorial codes (usually Lennard-Jones system) in online. However, most of them are doing energy ...
70 views

### Change of random variables and check by plot

Question As a test, I transform a uniform distribution over the unit square. But when I check the transformed distribution with Monte Carlo, it is wrong. What went wrong? Thanks. Problem Random ...
135 views

### Monte Carlo - Random Walk Simulation - polyfit the log log data points?

This is part of the code in matlab for a random-walk simulation. To test the code, I'm using steps=; there will be more values, but I want to run it for 1 trial to decrease code processing. <...
119 views

### Writing parallel code for molecular computation [duplicate]

I recently moved towards computational biophysics from an experimental science background. As of now, I am learning the fundamentals and doing some basic monte carlo simulations of LJ fluid on my ...
62 views

### Generating a random number based on a numerical distribution function

I have a probability distribution function that I don't have its analytical form (so I can't determine its CDF). How can I generate random numbers based on this distribution function? I'm looking for ...
1 vote
2k views

### 2D Ising Model, heat capacity decreases with lattice size

The problem I'm trying to make a metropolis simulation of the 2D Ising model. Basically, it's the following, for each monte-carlo step: Visit each lattice site, Compute energy required to flip ...
1 vote
192 views

### Weighted Monte Carlo Integration

I have a function $F(x)$ which drops exponentially (like differential QCD cross section vs. Invariant mass). I want to perform Monte-Carlo integration. The problem is that only small $x$'s which have ...
427 views

### Mean-squared displacement in Monte Carlo studies

Is measuring mean-squared-displacement in Monte Carlo simulations uncommon? I'm very interested to find out if this has actually ever been tried. For instance, in the context of spheres, or ...
1 vote
67 views

### Is there a software package for Quantum Monte Carlo estimation of the exchange correlation functional?

Quantum Monte Carlo (QMC) calculations historically have been used to parameterise the exchange-correlation functionals for Density Functional Theory (DFT). For example, this article explains a way to ...
The common case of for instance a Monte Carlo simulation is, if we want to run our simulation for $N$ steps, we define a delta $\Delta,$ such that $N/\Delta = n$ tells us the frequency with which we ...