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AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation
08 Jan 2018 | | Contributor(s):: Ali Sangghaleh, Michael J. Demkowicz
We present a tool called Arrangement of Interface Dislocation Arrays (AIDA) for enumerating all dislocation networks that satisfy the quantized Frank-Bilby equation for any interface between cubic crystals with a single-atom basis, i.e. FCC/FCC, BCC/BCC, and FCC/BCC interfaces. The set of...
18 Feb 2016 | | Contributor(s):: Jason Clark, Quincy Clark
CAD for MEMS via systems of compact models. This commercial tool is published by Sugarcube Systems, which requires a registration fee to use. The nanoHUB does not receive revenue or assume liability for the use of this tool.
MSE 498 Lesson 4: bash and MATLAB
16 Mar 2015 | | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
MSE 498 Lesson 5: MATLAB
23 May 2014 | | Contributor(s):: Bryan M. Wong
Eckart Inertias: calculates effective Eckart inertias for large-amplitude torsions. The Eckart inertias are obtained by solving a system of transcendental equations using the Powell dogleg method. Since this system is highly nonlinear, analytical Jacobians have been implemented in the dogleg...
Pitzer Inertias: calculates effective Pitzer inertias for large-amplitude torsions
Mandelbrotx: plots interesting Mandelbrot-like sets. These codes make pretty nice pictures.
Franck-Condon Overlap Integrals
Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].
PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations)
PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations): calculates electronic energies, densities, wavefunctions, and band-bending diagrams for core-shell nanowires within a self-consistent Schrodinger-Poisson formalism.
Rappture setup in Ubuntu
22 Aug 2011 | | Contributor(s):: David Alberto Saenz
This is a short article about how to set up a functional copy of a rappture development environment simmilar to the workspace but in a local machine. This permits the user to make use of their own software licenses and develop rappture programs in matlab regardless of being outside the premises...
How to Make High Quality Plots in MATLAB
29 Jul 2011 | | Contributor(s):: Mehdi Salmani Jelodar
This presentation is a tutorial for plotting higher quality figures by Matlab. Basic elements of plots are introduced and the way to manipulate these elements by coding is explained. Tow methods for dual axis plotting is described. At the end an approach to print figures automatically (by...
11 Aug 2011 | | Contributor(s):: Dragica Vasileska, Gerhard Klimeck
The HUB2CAC Multi-target MATLAB Framework
12 Nov 2010 | | Contributor(s):: Pascal Meunier, Steven Clark, Brandon G Hill
The goal of this framework is to facilitate the adaptation and management of existing MATLAB code for multiple targets, or creating new code intended to run on those targets. The targets can be specific clusters, e.g., the Center for Advanced Computing (CAC) at Cornell University...
MATLAB Primer, Second Edition
18 Jan 2010 | | Contributor(s):: Kermit N. Signon
The purpose of this Primer is to help you begin to use MATLAB. They can best be used hands-on. You are encouraged to work at the computer as you read the Primer and freely experiment with examples.
Hyperlens Design Solver
18 Jun 2008 | | Contributor(s):: Matt Swanson, Xingjie Ni, zubin jacob, Alexander V. Kildishev
Simulates a cylindrical hyperlens design to obtain resulting field intensities
MOSCNT: code for carbon nanotube transistor simulation
out of 5 stars
14 Nov 2006 | | Contributor(s):: Siyu Koswatta, Jing Guo, Dmitri Nikonov
Ballistic transport in carbon nanotube metal-oxide-semiconductor field-effect transistors (CNT-MOSFETs) is simulated using the Non-equilibrium Green’s function formalism. A cylindrical transistor geometry with wrapped-around gate and doped source/drain regions are assumed. It should be noted...
recursive algorithm for NEGF in Matlab
13 Nov 2006 | | Contributor(s):: Dmitri Nikonov, Siyu Koswatta
This zip-archive contains two Matlab functions for the recursive solution of the partial matrix inversion and partial 3-matrix multiplication used in the non-equilibrium Green’s function (NEGF) method.recuresealg3d.m- works for 3-diagonal matricesrecuresealgblock3d.m- works for 3-block-diagonal...
Modeling of Nanoscale Devices
19 Oct 2006 | | Contributor(s):: M. P. Anantram, Mark Lundstrom, Dmitri Nikonov
We aim to provide engineers with an introductionto the nonequilibriumGreen’s function (NEGF) approach, which is a powerful conceptual tool and a practical analysismethod to treat nanoscale electronic devices with quantum mechanicaland atomistic effects. We first review the basis for the...
MATLAB DOs and DON'Ts
14 May 2006 | | Contributor(s):: Dmitri Nikonov
Matlab is widely used for simulations but is believed to be unsuitable for complex projects and to produce slow-running software tools. The presentation argues that blind copying of methods typical of C and Fortran is responsible for such inefficiencies; the presentation teaches avoidance of...
MATLAB Scripts for "Quantum Transport: Atom to Transistor"
15 Mar 2005 | | Contributor(s):: Supriyo Datta
Tinker with quantum transport models! Download the MATLAB scripts used to demonstrate the physics described in Supriyo Datta's book Quantum Transport: Atom to Transistor. These simple models are less than a page of code, and yet they reproduce much of the fundamental physics observed in...