Calculating heat of fusion of polyethylene using Polymer Modeler
Teaching Materials | 28 Jan 2019 | Contributor(s): Lorena Alzate-Vargas, Benjamin P Haley, Alejandro Strachan
The main objective of this Learning Module is to determine the heat of fusion of a polytheylene sample using molecular dynamics.
Atomistic Polymer Workflow Notebook
Tools | 19 Oct 2017 | Contributor(s): Benjamin P Haley
Run PolymerModeler and nuSIMM tools to create atomistic polymer systems
Driver Generator
Tools | 14 Sep 2017 | Contributor(s): Benjamin P Haley
Create a Rappture driver file for a specified tool with specified inputs
LAMMPS Data-File Generator
Tools | 01 Aug 2017 | Contributor(s): Carlos Miguel Patiño, Lorena Alzate-Vargas, Chunyu Li, Benjamin P Haley, Alejandro Strachan
The LAMMPS Data-File Generator generates LAMMPS data files to perform molecular dynamics simulations in LAMMPS using Dreiding or PCFF force field energy terms
Glass transition temperature notebook
Tools | 22 May 2017 | 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
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The NEGF Approach to Nano-Device Simulation
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The non-equilibrium Greens function (NEGF) formalism provides a powerful conceptual and computational framework for treating quantum transport in nanodevices. It goes beyond the Landauer approach for ballistic, non-interacting electronics to include inelastic scattering and strong...
ANTSY—Assembly for Nanotechnology Survey Courses
Welcome to ANTSY – Assembly for Nano Technology SurveY courses! This ANTSY support wiki page gathers educational materials that are related to the ANTSY tool. ANTSY assembles several nanoHUB tools that we think can be useful for entry-level courses that aim to provide insights into...
NCN at Northwestern Tools
NCN@Northwestern Tool Support We have identified a list of tools for which we commit the following level of service: monitor support tickets, questions, and wishlists and provide a response within one business day. fix simple bugs within a week. move long term projects and tool...
NCN at Berkeley Tools
NCN@Berkeley Tool Support We have identified a list of tools for which we commit the following level of service: monitor support tickets, questions, and wishlists and provide a response within one business day. fix simple bugs within a week. move long term projects and tool improvement...
NCN at Illinois Tools
NCN@Illinois Tool Support We have identified a list of tools for which we commit the following level of service: monitor support tickets, questions, and wishlists and provide a response within one business day. fix simple bugs within a week. move long term projects and tool improvement...