
AIDA: A tool for exhaustive enumeration of solutions to the quantized FrankBilby 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 FrankBilby equation for any interface between cubic crystals with a singleatom basis, i.e. FCC/FCC, BCC/BCC, and FCC/BCC interfaces. The set of...

Eckart Inertias
29 May 2014   Contributor(s):: Bryan M. Wong
Eckart Inertias: calculates effective Eckart inertias for largeamplitude 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
29 May 2014   Contributor(s):: Bryan M. Wong
Pitzer Inertias: calculates effective Pitzer inertias for largeamplitude torsions

Mandelbrotx
29 May 2014   Contributor(s):: Bryan M. Wong
Mandelbrotx: plots interesting Mandelbrotlike sets. These codes make pretty nice pictures.

FranckCondon Overlap Integrals
29 May 2014   Contributor(s):: Bryan M. Wong
FranckCondon 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)
29 May 2014   Contributor(s):: Bryan M. Wong
PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations): calculates electronic energies, densities, wavefunctions, and bandbending diagrams for coreshell nanowires within a selfconsistent SchrodingerPoisson formalism.

MOSCNT: code for carbon nanotube transistor simulation
14 Nov 2006   Contributor(s):: Siyu Koswatta, Jing Guo, Dmitri Nikonov
Ballistic transport in carbon nanotube metaloxidesemiconductor fieldeffect transistors (CNTMOSFETs) is simulated using the Nonequilibrium Green’s function formalism. A cylindrical transistor geometry with wrappedaround 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 ziparchive contains two Matlab functions for the recursive solution of the partial matrix inversion and partial 3matrix multiplication used in the nonequilibrium Green’s function (NEGF) method.recuresealg3d.m works for 3diagonal matricesrecuresealgblock3d.m works for 3blockdiagonal...

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...