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MIT Atomic-Scale Modeling Toolkit
15 Jan 2008 | | Contributor(s):: daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley, Enrique Guerrero
Tools for Atomic-Scale Modeling
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How to create two element input file for Aluminum (Al) and Silicon carbide (SiC).
Closed | Responses: 1
The tool is very useful for the generation of input script for the LAMMPS file. The tool uses the atomic masses of the individual crystal to generate the input structure.
How we...
https://nanohub.org/answers/question/2344
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Thomas A Manz
Tom Manz is a Chemical & Materials Engineering faculty at New Mexico State University. His research group develops new computational chemistry methods and physical interaction models. He is the...
https://nanohub.org/members/222347
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Dibya Prakash Rai
https://nanohub.org/members/187116
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LAMMPS Data-File Generator
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
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Abdullah Arafat
https://nanohub.org/members/174451
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Phani Ravi Teja Nunna
https://nanohub.org/members/159739
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Marius Stan
https://nanohub.org/members/156713
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Zanti Giuseppe
Ph.D. Physical Chemistry 2012
https://nanohub.org/members/152017
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Hina Fakirabhai Badgujar
https://nanohub.org/members/140155
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nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling
26 May 2015 | | Contributor(s):: Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina
Simulated polymerization, equilibration, and characterization of molecular models
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Andrew Ferguson
https://nanohub.org/members/84967
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Polymatic: A Simulated Polymerization Algorithm
13 Mar 2013 | | 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 based on a number of defined bonding criteria. It works in conjunction with a simulation package to...
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Srinath Chakravarthy
https://nanohub.org/members/77396
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Jimmy Mangalam
https://nanohub.org/members/77017
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[Illinois] Molecular Dynamics Software (NAMD)
19 Jun 2012 | | Contributor(s):: Emad Tajkhorshid
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Michele Visciarelli
'''7/2004''': Maturità scientifica (High School Degree) from "Liceo Scientifico Gregorio RIcci Curbastro", Lugo (RA).'''12/2007''': Bachelors Degree in Electrical Engineering from "Alma Mater...
https://nanohub.org/members/68352
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[Illinois] Coarse-grained / Multiscale Simulation Software (NAMD)
19 Jun 2012 | | Contributor(s):: Emad Tajkhorshid
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[Illinois] Coarse-grained and Multiscale Modeling of Biological Systems
19 Jun 2012 | | Contributor(s):: Emad Tajkhorshid
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[Illinois] Molecular Dynamics
19 Jun 2012 | | Contributor(s):: Emad Tajkhorshid
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