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1-D Chain Dispersions
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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2010 NCN@Purdue Summer School: Electronics from the Bottom Up
20 Apr 2010 |
Electronics from the Bottom Up seeks to bring a new perspective to electronic devices – one that is designed to help realize the opportunities that nanotechnology presents.
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2d Ideal Gas Molecular Dynamics
01 Sep 2011 | | Contributor(s):: Terence Musho, Greg Walker
Simulation of a 2d molecular gas with specified temperature boundary conditions
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Cap interaction between 2 nanotubes facing each other
Q&A|Closed | Responses: 1
Is it possible to use nanomaterials simulation tool kit to compute the potential energy minima between the two capped nanotube facing each other?
https://nanohub.org/answers/question/724
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how to compute the potential relief of DWNT
Q&A|Closed | Responses: 0
which tool is to be used if i want to compute the potential relief of an double wall nanotube? whats the difference between molecular dynamics simulation and ab initio calculation.
https://nanohub.org/answers/question/671
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In the context of molecular dynamics, when does classical mechanics breakdown?
Q&A|Closed | Responses: 0
In the context of molecular dynamics, when does classical mechanics breakdown?
I viewed a lecture and wrote down some of the main points that the professor discussed. One of them was the...
https://nanohub.org/answers/question/726
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Active Learning Workflow for MPCAs
14 Mar 2021 | | Contributor(s):: Juan Carlos Verduzco Gastelum, David Enrique Farache, Zachary D McClure, Saaketh Desai, Alejandro Strachan
Active learning workflow for MPCAs using MD simulation tool MeltHEAS for optimized melting temperatures
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Additional Tutorials on Selected Topics in Nanotechnology
23 Mar 2011 | | Contributor(s):: Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja
Select tutorials in nanotechnology, a part of the 2010 NCN@Purdue Summer School: Electronics from the Bottom Up.
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Addressing Molecular Dynamics Time-scale Issues to Study Atomic-scale Friction
12 Oct 2010 | | Contributor(s):: Ashlie Martini
This presentation will include an introduction to several accelerated molecular dynamics methods. However, particular focus will be given to parallel replica (ParRep) dynamics in which atomistic simulations are run parallel in time to extend their total duration. The ParRep method is based on the...
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adnan zahid
I was born and raised in the heart of Islamabad and grew up a very outgoing and active child. Always staying proactive, I ventured into a lot of different activities to show my talent. I have...
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Ahmed-Amine Homman
https://nanohub.org/members/82074
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Akshat Saraf
Chemistry PhD Student at Georg August Universität GöttingenUsing computational chemistry to better inform electrochemical experiments
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alejandro guajardo-cuellar
https://nanohub.org/members/30164
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Aleksander Joachim Tomanek
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Ali lashani zand
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Aminul Islam Olin
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amir mohammad zarghani
i am amir mohammad zarghani
https://nanohub.org/members/358390
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anupam ghosh
M.Sc. Physics (2007), 1 year experience in neuroscience (2008-09), 1.5 yrs experience in synthesis and characterization of Nickel nano-wires (2010-11), 1 year experience in simulation of scattering...
https://nanohub.org/members/81944
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Applying Machine Learning to Computational Chemistry: Can We Predict Molecular Properties Faster without Compromising Accuracy?
26 Jul 2017 | | Contributor(s):: Hanjing Xu, Pradeep Kumar Gurunathan
Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields of biology and chemistry. However, it is time and resource consuming to calculate such interactions...
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Asif iqbal bhatti
https://nanohub.org/members/74065