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MIT Atomic-Scale Modeling Toolkit
Tools | 15 Jan 2008 | Contributor(s):: David A Strubbe, Enrique Guerrero, daniel richards, Elif Ertekin, Jeffrey C Grossman, Justin Riley
Tools for Atomic-Scale Modeling
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How to create two element input file for Aluminum (Al) and Silicon carbide (SiC).
Q&A|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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Akshat Saraf
Chemistry PhD Student at Georg August Universität GöttingenUsing computational chemistry to better inform electrochemical experiments
https://nanohub.org/members/190860
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Dibya Prakash Rai
https://nanohub.org/members/187116
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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
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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
Tools | 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
Downloads | 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)
Online Presentations | 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)
Online Presentations | 19 Jun 2012 | Contributor(s):: Emad Tajkhorshid
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[Illinois] Coarse-grained and Multiscale Modeling of Biological Systems
Online Presentations | 19 Jun 2012 | Contributor(s):: Emad Tajkhorshid
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