# All Questions

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49 views

### Numerov method for Schrodinger equation

While learning about numerical methods for solving the Schrödinger equation I came across Numerov's method. I want to get the solution for the harmonic oscillator by alreading giving the eigenvalues. ...
40 views

### Does Boost provide a template implementation of the wedge product?

Does the boost C++ library implement the computation of the wedge product? The wedge product is mentioned here, but it is not very clear (to me at least) whether there is a template implementation of ...
74 views

### What's the more efficient way to solve this matrix equation?

This is intended to be a more generic question not about a specific system. Given a hermitian matrix $H(x_1,\dots,x_n)$ depending non-linearly on some real parameters $x_1,\dots,x_n$. We want these to ...
44 views

### Term for an small optimisation algorithm used as a subroutine

Is there a term describing a specialised solver which is used as a subroutine or a different, larger solver? For example, a gradient descent solver which, at each step, uses a line search to optimise ...
15 views

### Find all recurring subgraphs/patterns of maximal size in a single undirected, labeled, connected graph

I would like to identify all subgraphs of maximal size (maximum number of nodes) that are recurrent in a single undirected, labeled, connected graph. I provide exemples of input and expected output ...
18 views

### Normal duration of DFT calculations on a monolayer

I'm going to ask this here since I cant seem to find an appropriate forum for quantum ESPRESSO. I'm a beginner at quantum ESPRESSO and using currently the BURAI 1.3 GUI for it. I'm only using an 8-...
21 views

### Automatic single point constraint

A lot of modern FE codes have an option called AUTOSPC. Examples are Nastran or Marc. I know that this option removes degrees of freedom to avoid a singular matrix system. But how to determine ...
8 views

### Universal formulation of adiabatic equations of state in compresible finite-volume simultions

I code some finite element solver which should work for broad variety of materials (i.e. gas, liquid, solid, plasma) and large span of compressions resp. densities. I want to simulate things like ...
46 views

### A non linear ode with boundary conditions at infinity

I want to solve the non-linear ODE $$\frac{d^2}{dx^2}y=a(y+y^3)$$ With the boundary conditions that $$\lim_{x\to \pm \infty} y(x) =0$$ I am not aware of any analytical method for solving this kind ...
58 views

### How can I solve the matrix optimization problem where denominator and numerator are different?

I want to solve the following maximization problem in $\mathbf{X}\in {\mathbb{R}}^{{m} \times {n}}$ \begin{eqnarray} \begin{split} \quad\max_\mathbf{X} \frac{\mathbf{Tr}(\mathbf{X}^\top \mathbf{Q} \...
44 views

### Can Taylor methods be used effectively on stiff ODEs?

Cleve Moler has stated that "all numerical methods for stiff odes are implicit." However, I don't know whether this statement is a mathematical fact, or an simply an observation. Moreover, many ...
61 views

### What will be the impact of quantum computing on existing numerical techniques (e.g. CFD)?

Quantum computing seems to be a very active and promising development area in computer science. However, I am curious as to what impact (if any) quantum computing will have on existing classical ...
17 views

### Tracking channel states using Machine Learning

I am new in AI and would like to apply machine learning to estimate the channel states. I have a set of data. It is a matrix of 10000*8. Each row of this matrix is regarding a time step, i.e., 1st row ...
54 views

### How to make this parfor loop work properly in Matlab?

I have a code that does some calculations for a given value p (p is between 0 and 1). In theory I should be able to make a parfor loop that runs over the values of p, with p being a vector (for ...
105 views

### Efficient algorithm to decide if a graph is a cactus?

A cactus is a connected graph in which every edge belongs to at most one simple cycle. How should one modify the Depth First Search algorithm to obtain an efficient algorithm that determines if a ...
71 views

### Partial differential equation with convolution integral

The GP equation is $$i\frac{\partial u}{\partial z}+\nabla^2u+|u|^2u+\int e^{-[(x-x')^2+(y-y')^2]}|u(x',y')|^2 dx'dy'u(x,y)=0$$ with Neumann boundary condition. The initial condition is given by a ...
55 views

### Activation function with special conditions in machine learning

I only have a basic understanding of deep learning, but looking through it I had an idea on how to approximate global minima of the NN. However, for it's activation function I am only able to use: ...
6k views

### Is it possible to have a career in SciComp without contributing to arms research?

I am at an international conference (ICIAM2019) about numerical methods and am surprised by the prevalence of applications directly relatable to arms research. examples: One award winner holds his ...
40 views

### PETSc - Manipulate BAIJ matrix locally

My program loads a parallel PETSc matrix $A$ on several MPI processes, each holding a block submatrix $A_i$. I would like to retrieve the local submatrix $A_i$, the one corresponding to the current ...
36 views

### How to pass matrices to parallel workers quickly in matlab?

I am trying to solve many different linear systems in parallel in matlab. The problem is, each linear system has entirely different parts and are fairly large, so passing the information to each of ...
74 views

### Sparse matrix inversion

I have the impedance matrix $Y$, formulated from an electrical network by augmented nodal analysis. The matrix $Y$ is shown as an image to illustrate its feature visually, where all the white blocks ...
111 views

### How to use Newton-Raphson method to handle nonlinear terms in coupled system of PDEs?

I'm trying to solve the Nonlinear Schrodinger's Equation (NLSE) in 2D using Finite Elements, but I don't know how to handle the nonlinear term. I suppose I have to apply the Newton-Raphson algortihm ...
57 views

### Shape functions in Euler Bernoulli Beam Equation

Does anyone have a intuitive explanation of why Hermite polynomials have to be utilized as the shape functions in the FEM solution of the Euler Bernoulli Beam 4th order ODE? I have been learning FEM ...
73 views

### How to set an initial guess for the iterative solver in Comsol?

How to set the initial guess for the iterative solver GMRES or FGMRES for linear problems (Helmholtz equation of RF module) in Comsol?
68 views

### Integrators for Nonlinear/Stiff PDE

It was suggested I ask this question in this section. Anyway: I have a particular nonlinear PDE of the form $$u_t(x,t)=iu_{xx}(x,t)+f(x,u(x,t)) \tag{1}$$ Where f is some nonlinear function. With ...
45 views

### WENO scheme on curvilinear coordinates

I've been developing a curvilinear FVM code. So far I've implemented the PPM scheme and am looking into adding WENO schemes. So far I've been discretizing the grid metrics using a second-order central....
38 views

### References to solve system of differential equations which describe the evolution of sandpile surface using the finite element method

I want to solve the following nonlinear system in 1D \begin{cases} \dot{R} + v \frac{\partial R }{\partial x} - \frac{\partial }{\partial x}\left( D \frac{\partial R }{\partial x} \right) -\Gamma =...
43 views

### Efficient algorithm to determine the intersection volume of simple convex polyhedra

TLDR: Is there an efficient algorithm to compute the intersection of polyhedra with 8 or fewer vertices? I have two sets of FEM meshes for one geometry (one exhibiting a skin effect). I have to ...
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### Original paper on the augmented Lagrangian method in FEM

I am writing a paper in which I want to cite the earliest reference to the augmented Lagrangian method in FEM. For the pure Lagrangian method in FEM, the classical work of Babuška [1] is the original ...
71 views

### How to perform local sensitivity analysis for partial differential equations

I am looking for a way to do local sensitivity analysis for PDEs, preferably in Python. I get the impression that discretizing the equation then treating it as an ODE could work; however, would that ...