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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48 views

Numerical Solution of the Convection Dispersion equation

I have asked this question on Computational Science and also on Mathoverflow, but no satisfactory answers so far. I thought maybe the physics community could shed some insight on the issue. I am ...
2
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0answers
65 views

Square root of a matrix appears in massive gravity. How to solve $\sqrt{A+B}$ perturbatively

$A=\text{diag}\{\lambda_1,...,\lambda_n\}$, where $\lambda_i$ can be any number and not necessarily a small number, $\lambda_i>0$, $B$ is a positive definite symmetric matrix, and ...
2
votes
2answers
93 views

Why does GW-DFT give higher bandgaps in semiconductors

Usually the GW Density Functional Theory (DFT) gives larger band gaps in semiconductors compared to the LDA and GGA methods. This seems to be related to the screened potential in GW, but it is not ...
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1answer
47 views

What exactly is closed orbit theory and what assumptions go into it?

I am just beginning a research project on the study of closed orbits, specifically as related to hydrogen, and I wanted a little bit more information on what exactly makes something a "closed orbit". ...
4
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1answer
207 views

Good source for numerical simulations of Wigner function?

I'm interested in simulating the time evolution of a Wigner function for a harmonic oscillator (and possibly some other potentials) and I can't seem to find a good resource for that. My background in ...
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1answer
212 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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0answers
34 views

Boundary conditions for solving Poisson's Equation with Experimental Data

I want to numerically (with Matlab) solve Poisson's equation : $ \frac{\partial^2u}{\partial x^2} + \frac{\partial^2u}{\partial y^2} = f(x,y)$ On a rectangular domain using experimental data. From ...
-2
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1answer
31 views

Lennard Jones Total system energy [closed]

i am trying to implement/extend an implementation of Lennard-Jones potential simulation regarding Xenon molecules (for curious ones, the code can be found here functions (force_naive->lj_force)). ...
0
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1answer
63 views

Classical Computation without NOT [closed]

Is it possible to do universal classical computation using bits and 2-bit gates when you cannot perform a NOT operation on a single bit (hence cant do CNOT and so on). If yes, what are the possible ...
0
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1answer
28 views

How to produce a 3D density map of a time-depenent system of particles?

I have a time-dependent system of varying number of particles (~100k particles). In fact, each particle represents an interaction in a 3D space with a particular strength. Thus, each particle has ...
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0answers
15 views

Quantum system numerical simulation [duplicate]

I'm a student doing a research on computer program in quantum system. I found a challenge when I was writting a program of Euler method in Fortran 77 for a simple function y'=-y^2 before using a ...
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0answers
15 views

Can we use Variational Monte Carlo for degenerate cases?

Consider Simple Example of Bose-Hubbard model $$H=-J\sum\limits_{<i,j>}b_i^{\dagger}b_j+h.c.+\frac{U}{2}\sum\limits_{i}n_i(n_i-1) . \tag{1}$$ We can solve this Hamiltonian by Variational ...
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0answers
59 views

What are the differences between the Jetphox, Pythia and Herwig event generators?

I know Jetphox is a parton-level event NLO generator program. But I want to know more about other generator programs such as Pythia and Herwig. What are the differences? I am undergraduate student so ...
0
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2answers
85 views

What is the fastest algorithm to solve a Nonlinear second order differential equation numerically

I am trying to solve a second order non linear differential equation in one variable. Using RK4 I am getting good accuracy and is working fine. But the problem is my range is very high so it will ...
1
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1answer
61 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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0answers
21 views

Computational method for finding edge states?

I am actually interested to learn how to calculate edge states in 1D topological systems using computational methods, Q. can anyone tell me which method is best suited and easy to calculate edge ...
1
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1answer
38 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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0answers
46 views

Importance sampling for Coulomb potential

The integral I have to solve is: $$I=\int\int d \mathbf{r}d \mathbf{r}' \frac{\Phi(\mathbf{r})\Phi(\mathbf{r}')}{|\mathbf{r}-\mathbf{r}'|}$$ It is a six-dimensional integral which I am going to ...
1
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1answer
64 views

What is the velocity of Sun due to Earth alone?

If Earth and Sun were in a isolated system, will the Earth's motion around Sun will be similar? What will be Sun's and Earth's velocity when Earth is at its aphelion? Please note that it's not a ...
1
vote
1answer
87 views

Determing Velocity of Moons

I have a question that I believe is relatively easy to answer, I am working on an $N$-body simulation of a fictional star system and am having trouble finding the velocity of moons so that they will ...
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0answers
15 views

Modelling Fourier Transform Profilometry

Basically I want to simulate a surface profilometry technique through Matlab. For that I want to create a GUI with controls for generating a grating pattern of light at a particular angle with respect ...
3
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2answers
75 views

Why is my two body model not working? [closed]

I have created a simple 1 Dimensional two body particle model in C++. In the model, particle 1 starts at position (0,0) and particle 2 starts at position (1,0). The particles are accelerated towards ...
1
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2answers
132 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 ...
2
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2answers
210 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 ...
2
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1answer
203 views

Exact diagonalization to resolve ground state degeneracies

I am studying a perturbed Toric Code model that is not analytically solvable. On a torus the ground state degeneracy of the unperturbed model is 4. Once we turn on the perturbation there is a change ...
2
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1answer
106 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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0answers
55 views

Limitations of Quantum Simulations on a Classical Computer

My question is on the simulation of a quantum computer on a classical machine. I understand that a classical computer to simulate any quantum algorithm--the problem is that the quantum computer does ...
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0answers
36 views

Using a mask with a (2D) Fourier Transform

For a project I'm working on, I (1) take a (gaussian) random field of 256x256 pixels, (2) apply numpy's fast fourier transform (numpy.fft package), (3) filter the k-space image (using a Tukey ...
0
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1answer
39 views

Sampling a 2-dimensional surface: How many samples along X & Y axes?

I have a set of first 25 Zernike polynomials. Below are shown few in Cartesin co-ordinate system. z2 = 2*x z3 = 2*y z4 = sqrt(3)*(2*x^2+2*y^2-1) : : ...
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4answers
942 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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0answers
76 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
91 views

How to calculate impulse force on collision?

I've made a program which is supposed to simulate free fall of a ball on a ground. For collision with the ground I relied on calculating the impulse force with the answer in this Phys.SE question ...
2
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1answer
42 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
125 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
19 views

Is there any way I can tell whether increase in total energy in molecular dynamics simulation is due to large time step or not?

Does increase due to large time step has any type of signature that will tell for certain (or almost certainly) that that is the reason?
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2answers
78 views

Which units should I use in molecular dynamics simulation?

I have written a simple molecular dynamics simulation program. The simulation runs fine but the physical properties (in particular, I have calculated temperature) are off by many scales. I understand ...
5
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5answers
319 views

Resolving General relativity and Newtonian mechanics to a computer [closed]

I know this is considered an old subject long ridiculed by many as the folly of layman. But I work in the field of computer simulation, specifically in producing fully functional 3D interactive ...
2
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2answers
90 views

Is there any untamed physics in the CPU?

In a x86/amd64 CPU could I find an instruction or a combination of instructions that leak inside the system? Could some other physics properties (not accounted by the design) be measured or interacted ...
1
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1answer
43 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
2k views

Programming in physics [closed]

How important is programming in physics? I am studying physics at university and these first years there is actually no approach (as it is understandable) to what working in physics is like. Now, I ...
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3answers
2k views

How are physics and computer science getting united? [closed]

How is theoretical computer science getting united with physics? Phenomena like Quantum Computing uses Quantum Mechanics to be able to compute things, how are computers helping not just to model our ...
1
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2answers
79 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, ...
0
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2answers
55 views

Correlation energy - is it the difference between the Hartree-Fock energy and exact energy, or Hartree-Fock PE and exact PE?

For some reason I can't find anything stating it either way explicitly. What I'm talking about is this. Is this difference referring to potential energies or just energies in general? I assume it's ...
3
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2answers
79 views

Numerical modelling of a step function in time in a hydrodynamic system. (Runge Kutta fourth order)

So I'm trying to model a hydrodynamic system that introduces a sudden "jump" in the value of a function at a specific time. The system is solved with a Runge-Kutta fourth order method. I have a ...
0
votes
1answer
57 views

Force Needed To Maintain Velocity, Increasing Mass

Hoping somebody could give me a hand with this. Unfortunately I haven't taken physics yet, my background is in math/computer science. I'm studying computational science and the problem is essentially ...
0
votes
1answer
244 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 ...
2
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1answer
75 views

Density Matrix Renormalization Group (DMRG) Simulation of a String-Net Model

In the following paper, Dr. Xiao Gang-Wen et. al. introduce the idea that string-net condensed states can be represented in terms of tensor product states: http://arxiv.org/pdf/0809.2821.pdf The ...
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0answers
45 views

Mixed spin Ising Model

As we know ferrimagnets can be modeled by the Ising model. I came across this equation in "Compensation Temperature of the Mixed-Spin Ising Model on the Hexagonal Lattice" by W. Figueiredo, M. Godoy, ...
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5answers
800 views

Church-Turing hypothesis as a fundamental law of physics

The Church-Turing hypothesis says one can not build a computing device which has more computing power (in terms of computability) than the abstract model of Turing machine. So, there is something in ...
0
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1answer
84 views

How to solve highly oscillating differential equation [closed]

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 ...