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Spectral analysis of non-equilibrium molecular dynamics
Tools | 28 Jun 2017 | Contributor(s):: Tianli Feng, Yang Zhong, Divya Chalise, Xiulin Ruan
Extract the phonon modal temperature and heat flux from non-equilibrium molecular dynamics
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1-D Phonon BTE Solver
Tools | 28 Jul 2014 | Contributor(s):: Joseph Adrian Sudibyo, Amr Mohammed, Ali Shakouri
Simulate heat transport by solving one dimensional Boltzmann transport equation.
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Two-temperature Non-equilibrium Molecular Dynamics Simulator
Tools | 26 Jul 2012 | Contributor(s):: Yan Wang, Xin Jin, Xiulin Ruan
Simulate electron-phonon coupled thermal transport across metal-nonmetal interface
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1-D Chain Dispersions
Tools | 01 Sep 2011 | Contributor(s):: Nicholas Roberts, Greg Walker
1-D Chain of atoms, bases and layers to produce phonon dispersion
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DFT calculations with Quantum ESPRESSO
Tools | 07 Jul 2010 | Contributor(s):: Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley
DFT calculations of molecules and solids
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CNT Mobility
Tools | 26 Apr 2009 | Contributor(s):: Yang Zhao, Albert Liao, Eric Pop
Simulate field effect carrier mobility in back-gated CNTFET devices at low field
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Thermoelectric Power Factor Calculator for Superlattices
Tools | 18 Oct 2008 | Contributor(s):: Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using Non-Equilibrium Green's Functions