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Glass transition temperature notebook
23 May 2017 | Tools | Contributor(s): Benjamin P Haley, Lorena Alzate-Vargas
Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook
Amorphous Semiconductor Transport Simulator
16 Nov 2015 | Tools | Contributor(s): Kevin Stewart
Estimate the carrier mobility in an amorphous semiconductor for thin-film transistor applications.
nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling
18 Jun 2015 | Tools | Contributor(s): Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina
Simulated polymerization, equilibration, and characterization of molecular models
Polymatic: A Simulated Polymerization Algorithm
26 Mar 2013 | Downloads | Contributor(s): Lauren Abbott, Coray Colina
Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system...
Amorphous Silicon Generator
11 Jan 2011 | Tools | Contributor(s): Eric Carl Johlin, Lucas Wagner, Jeffrey C Grossman, Justin Riley, David Strubbe
25 Aug 2010 | Tools | Contributor(s): Benjamin P Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan
Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties