# Questions tagged [computational-physics]

Computational physics is the study and implementation of numerical algorithms to solve problems in physics for which a quantitative theory already exists.

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### Why is perfect sampling not used in large-scale lattice model simulations?

The statistical physics literature is replete with papers describing simulations of lattice models, such as the Ising model. Typically, these are done through Monte Carlo methods, such as the ...
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### Calypso with quantum espresso for nanoparticles

Any one uses Calypso structure prediction? http://www.calypso.cn/documentation/ I want to run a two type molecules nanoparticle structure Any suggestions will be helpfull. Or if any other tools for ...
1answer
129 views

### Why is $1/r^2$ force law giving spiral trajectory?

I have written a program to solve for Newton's 2nd Law of motion for a given force law, in 2D polar coordinates. It is known that if the force law is of the form $k/r^2$,we get conic sections as ...
2answers
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### Optimization of expensive model with many parameters

I have a physical model which takes $\sim50$ parameters and gives $\sim2000$ outputs taking tens of minutes to run. I need to optimize these parameters to give outputs as close as possible to data. ...
1answer
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### Calculating the Strange Attractor of the Duffing Oscillator in C++

I am simultaneously trying to learn computational physics methods, chaos, and C++. I think this is the right site for the question, and I apologise if not. I started working through Thijssen's ...
3answers
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### Numerically finding constants of motion

Given a set of ODE's $\dot{z} = f(z)$ (or discrete time $z_{t+1} = f(z_t)$), is there a way to numerically find constants of motion? For $f(z_t) \approx M z_t$, diagonalizing the matrix $M$ ...
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### Applying boundary Conditions on FEM

I have a partial differential equatons as shown below. $$\dfrac{d}{dx}((1+x)\dfrac{du(x)}{dx})=0$$ With the following boundary conditions. $$u(0)=0, u(3)=10$$ To solve it using FEM, I multiplied the ...
1answer
185 views

### Scattering of waves in a symmetrical potential (using python)

I'm looking at scattering of waves in a symmetrical potential as part of a research project. If a plane wave $e^{(ikr)}$ is incident on a spherically symmetric potential $V(r)$ the scattered wave is ...
0answers
235 views

### Solving nonlinear pendulum using Runge-Kutta 4 for smaller steps

I am trying to solve nonlinear pendulum using 4th order Runge-Kutta method for limits between a=0.0 to b=110 seconds and simulated the results to observe the pendulum movement. But when I increase the ...
1answer
360 views

### Difference between MoM and FEM

Method of Moments and Finite Element Methods are two of the most used methods in computational electromagnetics to solve electromagnetic equations. As it is known, in FEM sparse matrixes are used ...
2answers
158 views

### Solving a Boundary Value Question $\frac{d^2y}{dx^2}=y\cos(x)+\frac{\sin(x)}{x^2+2}$ using Python

I'm looking to solve this boundary value question using the shooting method! $$\frac{d^2y}{dx^2}=y\cos(x)+\frac{\sin(x)}{x^2+2}$$ given the initial values: $$y'(x=-1)=-1\\y'(x=5)=0$$ I'm aware of ...
4answers
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### In Matlab, how can I be consistent with units?

I am modeling some aerodynamics equations and am using meters / centimeters, kilograms, and seconds. I've heard that, "matlab doesn't know units". So, how can I make sure that it does? Just ...
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### Lattice spring models vs. finite element models

I am a beginning graduate student in the field of continuum mechanics. It is my understanding that most problems in this field are numerically solved via finite element methods (FEM). However, I have ...
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### Tackling multiscale problem in numerical simulation

In a dusty plasma system there are more than one component with different masses, i.e, electrons, ions,neutrals and dust grains. Accordingly, there are more than one temporal and spatial scales ...
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115 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 ...
0answers
63 views

### Why this LJ molecular dynamics result doesn't converge?

I am doing a molecular dynamics simulation of Leonard Jones 6-12 potential. But instead of converging to a particular value. It always stays between -5.58 to -5.62. The standard value is -5.517. The ...
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### If not MATLAB, what software/programming language should I use to simulate/animate wave functions in various potentials + more? (example given)

I want to integrate programming into my learning in math and science in a very specific way. I want to create visualizations and simulations of concepts I am learning. When I learn a numerical method ...
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116 views

### Using Implicit Euler with second order differential equations

We can numerically integrate first order differential equations using Euler method like this: $$y_{n+1} = y_n + hf(t_n, y_n)$$ And with Implicit Euler like this: y_{n+1} = y_n + hf(t_{n+1},y _{n+...
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151 views

### Operator splitting to solve time dependent Schrödinger equation

I encountered the split operator method to solve the time dependent Schrödinger equation during a lecture. I understand the method on a theoretical basis (I think at least), but I'm struggling to ...
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### Parallel plate capacitor as simple superposition of Coulomb-fields

I am trying to calculate and visualize the electric field inside and outside of a parallel plate capacitor by assuming a uniform distribution of point charges on each plate and by adding up the ...