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MD Simulation
Tools | 31 Mar 2008 | Contributor(s):: Sanket S Mahajan, Ganesh Subbarayan, Xufeng Wang
Code to perform Molecular Dynamics (MD) Simulations
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Rode's Method
Tools | 28 Mar 2007 | Contributor(s):: Mohamed Mohamed, Anjali Bharthuar, Umberto Ravaioli
Calculates low field mobility in III-V semiconductors
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CNDO/INDO
Tools | 09 Oct 2007 | Contributor(s):: Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
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PhotonicsDB: Optical Constants
Tools | 14 Dec 2007 | Contributor(s):: Xingjie Ni, Zhengtong Liu, Alexander V. Kildishev
Experimental data is used to interpolate the dielectric function or the index of refraction of bulk materials used in optics and photonics
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Crystal Viewer Tool
Tools | 22 Dec 2007 | Contributor(s):: Yuanchen Chu, Daniel F Mejia, Fan Chen, James Fonseca, Michael Povolotskyi, Gerhard Klimeck
Visualize different crystal lattices and planes
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Nano Heatflow
Tools | 25 Sep 2007 | Contributor(s):: Joe Ringgenberg, P. Alex Greaney, daniel richards, Jeffrey C Grossman, Jeffrey B. Neaton, Justin Riley
Study the transfer of energy between the vibrational modes of a carbon nanotube.
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OOF2
Tools | 11 Oct 2007 | Contributor(s):: Stephen Langer, R. Edwin García, Andrew Reid
Image based finite element analysis tool for material microstructures
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StrainBands
Tools | 15 Jun 2007 | Contributor(s):: Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler
Explore the influence of strain on first-principles bandstructures of semiconductors.
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QWalk Quantum Monte Carlo Tutorial
Tools | 15 Jun 2007 | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton, Ian Michael Rousseau
An accurate method to calculate the many body ground state of electrons
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CNTbands
Tools | 14 Dec 2006 | Contributor(s):: Gyungseon Seol, Youngki Yoon, James K Fodor, Jing Guo, Akira Matsudaira, Diego Kienle, Gengchiau Liang, Gerhard Klimeck, Mark Lundstrom, Ahmed Ibrahim Saeed
This tool simulates E-k and DOS of CNTs and graphene nanoribbons.
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Process Lab: Concentration-Dependent Diffusion
Tools | 09 Oct 2006 | Contributor(s):: Shuqing (Victor) Cao, Yang Liu, Peter Griffin
This modules simulates both the standard diffusion and concentration-dependent diffusion.
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nano-Materials Simulation Toolkit
Tools | 08 Aug 2006 | Contributor(s):: Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri
Molecular Dynamics simulations of nano-materials
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SEST
Tools | 16 Jun 2006 | Contributor(s):: Gang Li, Zhi Tang, huijuan zhao, Narayan Aluru
Compute the strain effects on the thermal properties of bulk crystalline silicon
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CNTphonons
Tools | 30 May 2006 | Contributor(s):: Marcelo Kuroda, Salvador Barraza-Lopez, J. P. Leburton
Calculates the phonon band structure of carbon nanotubes using the force constant method.
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QC-Lab
Tools | 14 Feb 2006 | Contributor(s):: Baudilio Tejerina
Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules
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Quantum Dot Lab
Tools | 12 Nov 2005 | Contributor(s):: Prasad Sarangapani, James Fonseca, Daniel F Mejia, James Charles, Woody Gilbertson, Tarek Ahmed Ameen, Hesameddin Ilatikhameneh, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, Hong-Hyun Park, Tillmann Christoph Kubis, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck
Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.
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Resonant Tunneling Diode Simulator
Tools | 10 Oct 2005 | Contributor(s):: Michael McLennan
Simulate 1D resonant tunneling devices and other heterostructures via ballistic quantum transport
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MSL Simulator
Tools | 17 Jun 2005 | Contributor(s):: Kyeongjae Cho
Easy-to-use interface for designing and analyzing electronic properties of different nano materials