Questions tagged [reference-request]

This tag is for requests for books, papers, and citations.

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65 views

Finite Difference Approximation for the Laplacian in 2D that produces a nonsymmetric matrix

Consider the following PDE \begin{align} -\Delta u &= f \ \ \text{en} \ \ (0,1)\times (0,1) \label{P1} \\ u &= 0 \ \ \text{en} \ \partial ((0,1)\times (0,1)) \label{P2} \end{align} if we ...
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1answer
82 views

Finding the source of numerical instability in a electrostatic problem solved by conformal mapping

I'm using conformal mapping to solve a 2D electrostatic problem (calculating the potential $u(x,y)$ in the plane). Let $C_1$ and $C_2$ be two circles at an electric potential $U_1$ and $U_2$, ...
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1answer
102 views

Tensor product representation for the 9-point finite difference approximations for the Poisson equation

If we use 5-point finite difference approximations in a uniform rectangular grid to solve the Poisson PDE \begin{align} -\Delta u &= f \ \ \text{en} \ \ (0,1)\times (0,1) \label{P1} \\ u &= ...
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2answers
165 views

Scientific computing code development hands on introduction

I have a background in Computational Mechanics but my knowledge remains very user-oriented. What I mean by that is that I have a fairely good knowledge about how to use a commercial engineering ...
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4answers
892 views

How important is learning hardware/architecture for scientific computing?

Apologies if this is a bit of a soft, unclear, or opinion-based question. I'm a relatively new PhD student in a (computational) quantum chemistry group. My group develops and maintains a few software ...
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1answer
134 views

Help me choose a book on the numerical integration of PDEs

For ODEs I have these books: Griffiths, David, Higham, Desmond J., Numerical Methods for Ordinary Differential Equations, 2010 Alfio Quarteroni, Riccardo Sacco, Fausto Saleri, Numerical Mathematics, ...
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36 views

HLLC Riemann solver with shock test 2 - extension to low densities

I am currently using the HLLC solver to solve a 1-D system of Euler equations with very satisfactory results. However, there are cases where my solution produces low-density, high velocity states, ...
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1answer
56 views

What is the best cooling and flippling schedule in simulated annealing?

I've noticed that some heuristics for it on my problem which work surprisingly well. I guess it ought to be systematically studied although I cannot find guides or overviews for it.
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70 views

A priori error estimates - finite element method - mixed boundary conditions

Consider the problem $$ \left\{\begin{array} {rcl} -\Delta u & = 0 & \text{ in } \Omega \\ u & = 0 & \text{ on } \Gamma_D \\ \frac{\partial u}{\partial n} &= g &\text{ on } \...
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1answer
249 views

Reference request: C++ and numerical analysis book

I'm a master student with a good Numerical analysis background. I'm going to do a master thesis in the same subject, but I need to use C++ since my advisor loves it, and I also believe it's the best ...
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1answer
36 views

Introductory reference on bit-twiddling? [closed]

I'm looking for introductory resources--web pages, book chapters, articles--that introduce the C language with an immediate focus on bit-twiddling functions (e.g. bitwise XOR, AND, shifts), and of ...
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56 views

What is this QR-factorization-based preconditioning called?

I have recently started to delve into someone else's code, and there is a part in there I don't quite understand. The authors of the code use some form of pre-conditioning to speed up the optimization....
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0answers
59 views

Book recommendation on numerical methods for solving Integro-Differential equations

I was wondering if anyone could recommend a good book or resource on numerical methods for solving integro-differential equations? Of course I am familiar with the methods for solving ODEs and PDEs ...
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1answer
503 views

FEM Python book

Is there any book or site available with Finite element Method for partial differential equations with python code apart from Fenics?
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2answers
75 views

Efficient ODE steppers with query of $f$ and $\nabla f$ is efficient

Assume we have an IVP $y'(t) = f(t,y)$, and that $\partial_t f$ and $\nabla f$ are cheap to compute. Assume further that more derivatives are not cheap to compute, or inaccessible for some reason, ...
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49 views

Finding a CFD paper with extra degree of freedom variable in mass conservation

I am trying to find a paper that I saw about a year ago. I am not sure of the actual date of the paper. I believe it was a finite difference CFD paper. The interesting part of the paper was the ...
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1answer
132 views

Diagonalization of Hermitian matrices vs Unitary matrices

What are the general algorithms used for diagonalization of large Hermitian matrices and Unitary matrices? ($>5000 \times 5000$) LAPACK seems to diagonalize Hermitian matrices almost 20 times as ...
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2answers
468 views

When is it easy to invert a sparse matrix?

(Crossposted on cstheory.SE) When is it easy to invert a sparse matrix? Specifically, I'm wondering about the cases in which matrix inversion has similar cost to sparse matrix multiplication, hence ...
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41 views

Effect of Peclet number on concentration profiles

I have been performing convection-diffusion transport studies on microfluidic channels like the following I came across an article that illustrates the effect fo Peclet number on concentration ...
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56 views

computing time scale and steady state concentration in microfluidic channels

I have been performing convection-diffusion transport studies on microfluidic channels like the following The inlet concentration is specific and I obtain the time-dependent concentration profiles of ...
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1answer
476 views

4th order tensor rotation - sources to refer

I am trying to model a linear elastic material in Abaqus using a UMAT. For my application, I need to rotate the 6x6 compliance matrix for a given set of eigenvectors (or a rotation matrix). I came ...
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1answer
146 views

Red flags for numerical computing?

I've learnt the hard way that you should avoid: computing small numbers as the difference of two large numbers evaluating chaotic functions with imprecise inputs. Are there any other red flags a ...
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0answers
39 views

Origin of phrase `computational microscope'

I have heard the term 'computational microscope' used to describe the practice of molecular simulation (in the context e.g. computational chemistry, materials science) and its use as a numerical tool ...
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0answers
52 views

Assume $AX = C$. How to determine which entry of $BX - D$ is non-negative?

Let $A,B$ be $n \times n$ matrices and $C,D$ be $n \times 1$ matrices. Moreover, all entries of $A,B,C,D$ are non-negative. Assume that there is a unique matrix $X$ that solves $AX = C$. My goal is ...
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1answer
107 views

Applications of Julia in Chemistry and Molecular Physics?

I was wondering if there are any Theoretical & Computational Chemistry (MM, QM) codes or publications out there that are based primarily on the Julia programming language?
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41 views

Advice for a topic in a seminar

I am a master student in Mathematics, and I have to prepare a seminar for a course in mathematical methods for applied sciences. I have a good background in numerical analysis for ODEs, PDEs and hence ...
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1answer
86 views

Adaptive Lagrangian-Eulerian methods and practical benchmark results

Does anyone know of any published study that talks about the practical aspects of running Adaptive Lagrangian-Eulerian techniques for solid and/or fluid mechanics problems? I'm looking for things ...
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1answer
68 views

Avalability of SNOPT optimization solver

I'd like to know if SNOPT solver is available free of cost for academic research in any of the optimization software packages. I came across a few softwares that have SNOPT, but those require a ...
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0answers
61 views

How to solve odd-order differential equations in FEM? Petrov-Galerkin?

I've recently learned about using weighted residuals with the Galerkin method to numerically approximate even-order differential equations (for linear elements, I'm still a beginner). It seems for odd-...
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1answer
250 views

Simple particle-in-cell examples

I am studying about the 1D EM-PIC (Electro Magnetics using particle-in-cell) simulation. I want to have a simultaneous time-integration of the electric/magnetic fields plus the motion of free charges ...
2
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1answer
342 views

C++ book recommendation- Scientific computing and C++

I'm a master's student in Math interested in Numerical Analysis. I know there are lots of questions like that on this site, but I think this is the best place to ask. So, I'm looking for an ...
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1answer
134 views

Is C++ and Object-Oriented Numeric Computing for Scientists and Engineers by Daoqi Yang still relevant?

I'm looking to learn C++ primarily from a scientific computation perspective. The approach of the textbook seems ideal to me as it covers C++ from first principles with an emphasis on numerical ...
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2answers
427 views

Minimum number of elements (mesh size) for electromagnetic simulation

Does someone have a reference for the minimum number of elements (or maximum mesh size) for electromagnetic simulations where a mathematical or numerical explanation is given? I have found several ...
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3answers
239 views

Morley element implementation reference

I am looking for a detailed reference on the implementation of the Morley element for FEM, specifically for the biharmonic equation. By detailed, I mean that it should discuss the problems associated ...
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0answers
64 views

Can Representation Theory be studied computationally / numerically?

Can a subfield such as the representation theory of Lie algebras be studied computationally / numerically -- is there an interplay between the abstract and the concrete? I would be grateful for an ...
3
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1answer
343 views

The Formula of Explicit Runge-Kutta Fourteen order

I need an explicit Runge-Kutta 14th order formula. If you know about some reference that discusses at least 10th order (or higher, since I'm looking for the 14th) of Runge-Kutta and there is ...
3
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0answers
73 views

Methods to approximate obective function gradients from point cloud

Problem statement: Assume that I have an objective function $f(x)$ which takes as input a $D$-dimensional vector $x\in\mathbb{R}^D$, and that $f(x)$ is sufficiently smooth. Assume further that I ...
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0answers
50 views

Truncated power series algebra implementation

1) I am looking for references for an efficient implementation and usage of TPSA. What sources exist besides Berz's 1989 original paper and the incomplete chapter in Dragt's book? 2) Are there ...
3
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0answers
178 views

What is the fastest algorithm for computing log determinant of a PSD matrix? (All possible PSD matrices)

I am diving into some literature to understand which is the best algorithm for computing the log-determinant of a PSD matrix. More generally, I am interested in a list of resources to read, which ...
5
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1answer
412 views

Consumer hardware for scientific computing?

I'm interested in problems around probability, statistics, and statistical mechanics, and often I find it useful to perform simulations to get some sense of the underlying phenomena. Example ...
1
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0answers
71 views

How to approach geographic data interpolation by distance?

let's say I have a set of geographic locations (lat, lng) resulting from a query. Those locations have some kind of internal ranking, my set is sorted by this number in a descending order. Now I'm ...
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0answers
125 views

“Geometry of ill-conditioning” for least-squares problems

It is an idea that dates back to Demmel, 1987 that the condition number of a problem is often related to the distance to the closest ill-posed problems. In Section 3 of the above paper, the author ...
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1answer
153 views

Simulating advection - diffusion problem in a network of 1D pipe

I'm interested in solving the following advection-diffusion system in a 1D network of pipes. $$\frac{\partial C}{\partial t} = D\frac{\partial ^2 C}{\partial x^2} - v\frac{\partial C}{\partial x}$$ ...
2
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0answers
74 views

Book Recommendation: Analysis and design of mechanistic models - such as pharmacokinetics or hydrology models

I have been looking at an interesting book "Pharmacokinetic-Pharmacodynamic Modeling and Simulation" by Peter Bonate on pharmacokinetic models: the models of how medical drugs work their way through ...
6
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0answers
411 views

Are there well-known methods for navigating on kd-trees?

When you have a mesh, there are many well-known methods to navigate it, as for example using a half-edge data structure, that allows easy circulation around faces and vertices. Are there similar ...
3
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1answer
179 views

Reference request: Riks method (Nonlinear FEM)

I'm struggling to find a good detailed reference explaining the Arc-length method or, more generally, Riks method and its derivations. I looked for the classical books in nonlinear mechanics (the ones ...
2
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0answers
46 views

Classification of multiobjective optimization algorithms

I am looking for a good (canonical?) overview paper(s)/book(s) on the classification of multiobjective optimization algorithms. I am focused on obtaining a representative set of Pareto optimal ...
4
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1answer
158 views

Good reference on the implementation and limitations of SDIRK methods

For the solution of many PDE, implicit high-order time integration schemes are required. I am specifically interested in schemes that do not require a constant time step. I am well acquainted with ...
4
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1answer
111 views

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 ...
2
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1answer
153 views

Null space for smoothed aggregation algebraic multigrid

I do not really get the point of null space usage for creating the prolongation operator for smoothed aggregation algebraic multigrid. I know what the null space is per definition and I know that the ...

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