Tags: Matlab

Downloads (1-9 of 9)

  1. 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...

  2. Eckart Inertias

    29 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...

  3. Pitzer Inertias

    29 May 2014 | | Contributor(s):: Bryan M. Wong

    Pitzer Inertias: calculates effective Pitzer inertias for large-amplitude torsions

  4. Mandelbrotx

    29 May 2014 | | Contributor(s):: Bryan M. Wong

    Mandelbrotx: plots interesting Mandelbrot-like sets. These codes make pretty nice pictures.

  5. Franck-Condon Overlap Integrals

    29 May 2014 | | Contributor(s):: Bryan M. Wong

    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)].

  6. PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations)

    29 May 2014 | | Contributor(s):: Bryan M. Wong

    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.

  7. MOSCNT: code for carbon nanotube transistor simulation

    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...

  8. 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...

  9. 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...