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Atomistix Virtual NanoLab

Atomistix Virtual NanoLab (VNL) is a commercial point-and-click software for simulation and analysis of physical and chemical properties of nanoscale… 
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Atomistix ToolKitDensity functional theoryList of software for nanostructures modelingMolecular orbital

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Computational science

Papers overview

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2019
2019
Prediction of Adsorption Probability of Oxidizing and Reducing Species on 2-D Hybrid Junction of rGO-ZnO From First Principle Analysis
The target of this paper is to theoretically investigate the probability of gas (both oxidizing and reducing) adsorption on the… 
2018
2018
PROPERTIES OF CNT-GNR INTERFACE THROUGH DFT SIMULATION
The orientation of interface between nanostructures has a major impact on their properties. In this work, mechanical properties… 
2018
2018
Design of Aligned Carbon Materials as a Renewable Energy Source for Various Environmental Applications
In the last few decades, a plethora of research work has been done on nanotechnology. Nano technology has gained expeditious… 
2017
2017
Modeling of current-voltage and dl/dV-characteristics of nanocontact “Niobium — Carbon nanotube (5, 5) — Niobium”
The paper investigated the current-voltage and dI/dV-characteristics of nanocontact “Niobium — Carbon nanotube (5,5) — Niobium… 
2016
2016
First Principle Analysis of (10-Boranylanthracene-9-yl)borane-Based Molecular Single-Electron Transistor for High-Speed Low-Power Electronics
A molecular single-electron transistor (SET) with (10-Boranylanthracene-9-yl)borane molecule as an island has been analyzed in an… 
2014
2014
Annual Pi Meeting
2011
2011
Mechanical and Electrical Properties of Single Walled Carbon Nanotubes : A Computational Study
Over the recent years, numerical modelling and computer based simulation of the properties of carbon nanotubes have become the… 
2011
2011
Realization of Magnetic RAM using Magnetic Tunneling Junction in atomic level
Magnetic RAM (MRAM) is the non-volatile memory device with excellent endurance. Magnetic Tunneling Junction (MTJ) is the basic… 
2008
2008
Atomistic modeling of elastic and transport properties of carbon nanotubes
ATOMISTIC MODELING OF ELASTIC AND TRANSPORT PROPERTIES OF CARBON NANOTUBES FERAS G. ALZUBI Center for Computational Nanoscience… 
2006
2006
Concepts for Cooperative Knowledge Spaces in Mathematics and Natural Sciences
Cooperative knowledge spaces have a high potential to improve eLTR (eLearning, eTeaching and eResearch) at universities. Since… 
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